Geometry & MOs

Info

ID:	162403
PubChem CID:	57394561
Reduced:	ClN2O3C29H35 (1)
Stoich.:	AB2C3D29E35 (1)
Weight, g/mol:	378.124739
ΔH_f, kcal/mol:	-99.54
Dipole, Da:	4.83
IP(EA), eV:	-8.4(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-N-cyano-5-methyl-1-[(4-methylphenyl)methyl]imidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)CC(COC3=CC=CC=C3C(=O)CCC4=CC=CC=C4)O.Cl

DOS

IR

Vibrations