Geometry & MOs

Info

ID:	379016
PubChem CID:	134228887
Reduced:	NOC10H11 (2)
Stoich.:	ABC10D11 (2)
Weight, g/mol:	389.069782
ΔH_f, kcal/mol:	-21.31
Dipole, Da:	3.73
IP(EA), eV:	-8.66(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-[(2-chloro-5-methylphenyl)methyl]-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-oxoimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN(C(=C)C2=CN=CC=C2)C(=C(C)C)C(=O)O

DOS

IR

Vibrations