Geometry & MOs

Info

ID:	224081
PubChem CID:	85337941
Reduced:	Cl3O3N6C25H31 (1)
Stoich.:	A3B3C6D25E31 (1)
Weight, g/mol:	569.272608
ΔH_f, kcal/mol:	-87.63
Dipole, Da:	3.42
IP(EA), eV:	-8.59(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[5-[(6-methoxypyridin-3-yl)amino]pyrazolidin-3-yl]ethyl]-N-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC(C)C1C2C(NC(NC2=O)CC3=CC(=C(C=C3)NC(=O)CN(C)C)O)N(N1)C4=C(C=C(C=C4Cl)Cl)Cl

DOS

IR

Vibrations