Geometry & MOs

Info

ID:	192028
PubChem CID:	78215450
Reduced:	ClO2N5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	401.185175
ΔH_f, kcal/mol:	1.42
Dipole, Da:	5.48
IP(EA), eV:	-9.42(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethylideneamino)pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2C(C(=O)NC1=O)N(C(=N2)N(C)CC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations