Geometry & MOs

Info

ID:	170168
PubChem CID:	75205094
Reduced:	Cl2N2O2H20C21 (1)
Stoich.:	A2B2C2D20E21 (1)
Weight, g/mol:	492.190989
ΔH_f, kcal/mol:	-30.39
Dipole, Da:	5.51
IP(EA), eV:	-9.73(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[3-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]benzamide

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)Cl)Cl)NC(=O)C=CC2=CC=C(C=C2)C(=O)NC3CC3

DOS

IR

Vibrations