Geometry & MOs

Info

ID:	197429
PubChem CID:	78965648
Reduced:	N3O5H7C10 (1)
Stoich.:	A3B5C7D10 (1)
Weight, g/mol:	271.106925
ΔH_f, kcal/mol:	-78.93
Dipole, Da:	6.93
IP(EA), eV:	-10.15(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethylimidazol-2-yl)methylamino]-3-nitrobenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)[N+](=O)[O-])NC(=O)CC(=O)O

DOS

IR

Vibrations