Geometry & MOs

Info

ID:	167652
PubChem CID:	74852834
Reduced:	ClN3O3H20C22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	453.181919
ΔH_f, kcal/mol:	-41.81
Dipole, Da:	2.88
IP(EA), eV:	-9.43(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2=CC=C(C=C2)Cl)NC(=O)C=CC3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations