Geometry & MOs

Info

ID:	265855
PubChem CID:	103554776
Reduced:	O2N5C12H19 (1)
Stoich.:	A2B5C12D19 (1)
Weight, g/mol:	228.12224
ΔH_f, kcal/mol:	13.97
Dipole, Da:	8.61
IP(EA), eV:	-9.15(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]butan-1-ol

Drug info:

PubChemData

Smile

CC1=NC(=C(N1C)NC2CN3CCC2CC3)[N+](=O)[O-]

DOS

IR

Vibrations