Geometry & MOs

Info

ID:	84034
PubChem CID:	49863519
Reduced:	ON2C4H4 (3)
Stoich.:	AB2C4D4 (3)
Weight, g/mol:	288.097088
ΔH_f, kcal/mol:	41.02
Dipole, Da:	5.42
IP(EA), eV:	-9.47(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-carbamimidoylphenyl)-2-(4-nitroimidazol-1-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=N)N)NC(=O)CN2C=CN=C2[N+](=O)[O-]

DOS

IR

Vibrations