Geometry & MOs

Info

ID:	9713
PubChem CID:	92560
Reduced:	ClO2N3C7H10 (1)
Stoich.:	AB2C3D7E10 (1)
Weight, g/mol:	203.046154
ΔH_f, kcal/mol:	-0.46
Dipole, Da:	4.03
IP(EA), eV:	-10.18(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloropropyl)-2-methyl-5-nitroimidazole

Drug info:

PubChemData

Smile

CC1=NC=C(N1CCCCl)[N+](=O)[O-]

DOS

IR

Vibrations