Geometry & MOs

Info

ID:	9561
PubChem CID:	90954
Reduced:	N3O3C7H11 (1)
Stoich.:	A3B3C7D11 (1)
Weight, g/mol:	185.080041
ΔH_f, kcal/mol:	-29.34
Dipole, Da:	6.91
IP(EA), eV:	-10.02(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methyl-2-nitroimidazol-4-yl)propan-2-ol

Drug info:

PubChemData

Smile

CC(CC1=CN=C(N1C)[N+](=O)[O-])O

DOS

IR

Vibrations