Geometry & MOs

Info

ID:	265857
PubChem CID:	103554787
Reduced:	O3N5C9H15 (1)
Stoich.:	A3B5C9D15 (1)
Weight, g/mol:	267.169525
ΔH_f, kcal/mol:	-37.86
Dipole, Da:	9.41
IP(EA), eV:	-9.54(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2,3-dimethyl-5-nitroimidazol-4-yl)piperidin-2-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations