Geometry & MOs

Info

ID:	265851
PubChem CID:	103554703
Reduced:	N4O4C13H18 (1)
Stoich.:	A4B4C13D18 (1)
Weight, g/mol:	266.13789
ΔH_f, kcal/mol:	-73.94
Dipole, Da:	6.26
IP(EA), eV:	-9.75(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=C(N1C)N2CC3CCCC3C2C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations