Geometry & MOs

Info

ID:	176438
PubChem CID:	76049185
Reduced:	ClO2N3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	406.156039
ΔH_f, kcal/mol:	-33.35
Dipole, Da:	4.31
IP(EA), eV:	-9.03(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyridin-2-ylidene]pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=O)C(C=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl

DOS

IR

Vibrations