Geometry & MOs

Info

ID:	278751
PubChem CID:	103837654
Reduced:	FN2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	236.127326
ΔH_f, kcal/mol:	-3.85
Dipole, Da:	6.67
IP(EA), eV:	-8.99(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-cyclopropylcyclopropyl)methyl]-3-methyl-5-nitroimidazol-4-amine

Drug info:

PubChemData

Smile

C1CC1C2(CC2)CNC3=C(C=C(C=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations