Geometry & MOs

Info

ID:	275719
PubChem CID:	103817248
Reduced:	N3O3C14H15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	164.069811
ΔH_f, kcal/mol:	-68.84
Dipole, Da:	5.05
IP(EA), eV:	-9.56(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-1-methylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(N=C1)C(=O)NC(C2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations