Geometry & MOs

Info

ID:	268370
PubChem CID:	103599121
Reduced:	FO3N5C20H22 (1)
Stoich.:	AB3C5D20E22 (1)
Weight, g/mol:	380.128469
ΔH_f, kcal/mol:	-26.06
Dipole, Da:	4.78
IP(EA), eV:	-9.43(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoro-2-nitrophenyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CCC2=NN=C(N2CC1)C3CCCN3C(=O)C=CC4=C(C=C(C=C4)F)[N+](=O)[O-]

DOS

IR

Vibrations