Geometry & MOs

Info

ID:	270192
PubChem CID:	103633038
Reduced:	Cl2N2O2H14C15 (1)
Stoich.:	A2B2C2D14E15 (1)
Weight, g/mol:	292.133554
ΔH_f, kcal/mol:	-39.92
Dipole, Da:	2.88
IP(EA), eV:	-9.01(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-fluorophenyl)propan-2-yl]-2,3-dimethyl-5-nitroimidazol-4-amine

Drug info:

PubChemData

Smile

CCOCC1=CC=CC=C1NC(=O)C2=C(N=C(C=C2)Cl)Cl

DOS

IR

Vibrations