Geometry & MOs

Info

ID:	173380
PubChem CID:	75631571
Reduced:	Cl3N11O37C102H118 (1)
Stoich.:	A3B11C37D102E118 (1)
Weight, g/mol:	281.113982
ΔH_f, kcal/mol:	-1047.19
Dipole, Da:	13.33
IP(EA), eV:	-7.93(-2.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-naphthalen-1-yl-5-(trifluoromethyl)pyrazolidin-3-amine

Drug info:

Smile

CC1C(C(CC(O1)OC2C3C(=O)NC(C4=C(C(=CC(=C4)O)O)C5=C(C=CC(=C5)C(C(=O)N3)NC(=O)C6C7=CC(=C(C(=C7)OC8=C(C=C2C=C8)Cl)OC9C(C(C(C(O9)CO)O)O)OC1CC(C(C(O1)C)O)(C)NCC1=CC=C(C=C1)C1=CC=C(C=C1)Cl)OC1=C(C=C(C=C1)C(C(C(=O)NC(C(=O)N6)CC(=O)N)NC(=O)C(CC(C)C)N(C)C(=O)OCOC(=O)CCC(=O)NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O)O)Cl)O)C(=O)O)(C)N)O

DOS

IR

Vibrations