Geometry & MOs

Info

ID:	140379
PubChem CID:	52688138
Reduced:	O3N4H22C26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	321.12774
ΔH_f, kcal/mol:	-35.29
Dipole, Da:	6.61
IP(EA), eV:	-8.71(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)C2=CC=CC(=C2)CN3C(=O)[C@@H](NC3=O)CC4=CNC5=CC=CC=C54

DOS

IR

Vibrations