Geometry & MOs

Info

ID:	188514
PubChem CID:	77726271
Reduced:	N3O9H13C22 (1)
Stoich.:	A3B9C13D22 (1)
Weight, g/mol:	446.206639
ΔH_f, kcal/mol:	-242.66
Dipole, Da:	6.05
IP(EA), eV:	-10.46(-2.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-5-[4-[(4-phenoxyphenyl)carbamoylamino]phenyl]pyrazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C(C(=N2)N(C(=O)C3=CC4=NC(=CC(=O)C4C=C3)C(=O)O)C(=O)O)C(=O)O

DOS

IR

Vibrations