Geometry & MOs

Info

ID:	340852
PubChem CID:	127263287
Reduced:	ClNO2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	217.085127
ΔH_f, kcal/mol:	-67.93
Dipole, Da:	5.19
IP(EA), eV:	-9.71(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-3-benzyl-2-(nitromethylidene)-4H-imidazole

Drug info:

PubChemData

Smile

COC(=O)C1=NC=CC2=CC=CC=C21.Cl

DOS

IR

Vibrations