Geometry & MOs

Info

ID:	265850
PubChem CID:	103554665
Reduced:	N2O2C5H8 (2)
Stoich.:	A2B2C5D8 (2)
Weight, g/mol:	294.132805
ΔH_f, kcal/mol:	-83.19
Dipole, Da:	7.45
IP(EA), eV:	-9.07(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dimethyl-5-nitroimidazol-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations