Geometry & MOs

Info

ID:	271486
PubChem CID:	103680771
Reduced:	FON3C9H14 (1)
Stoich.:	ABC3D9E14 (1)
Weight, g/mol:	228.12224
ΔH_f, kcal/mol:	-74.07
Dipole, Da:	3.47
IP(EA), eV:	-9.23(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NC=N1)NC(C)CCO)F

DOS

IR

Vibrations