Geometry & MOs

Info

ID:	271666
PubChem CID:	103687768
Reduced:	N3O3C12H17 (1)
Stoich.:	A3B3C12D17 (1)
Weight, g/mol:	254.13789
ΔH_f, kcal/mol:	-46.91
Dipole, Da:	8.74
IP(EA), eV:	-9.3(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclohexyl]methanol

Drug info:

PubChemData

Smile

C1CCC(C(C1)CO)NC2=C(C=NC=C2)[N+](=O)[O-]

DOS

IR

Vibrations