Geometry & MOs

Info

ID:	271449
PubChem CID:	103679789
Reduced:	ClN4O4C13H19 (1)
Stoich.:	AB4C4D13E19 (1)
Weight, g/mol:	238.142976
ΔH_f, kcal/mol:	-106.19
Dipole, Da:	9.24
IP(EA), eV:	-9.43(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyclopropylpropyl)-2,3-dimethyl-5-nitroimidazol-4-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCNC1=C(C=C(C=N1)[N+](=O)[O-])Cl

DOS

IR

Vibrations