Geometry & MOs

Info

ID:	84033
PubChem CID:	49863508
Reduced:	O2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	288.097088
ΔH_f, kcal/mol:	-21.35
Dipole, Da:	8.47
IP(EA), eV:	-9.53(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=CC(=O)C(=N2)C(=O)N)C

DOS

IR

Vibrations