Geometry & MOs

Info

ID:	320542
PubChem CID:	126661713
Reduced:	NOF4C22H23 (1)
Stoich.:	ABC4D22E23 (1)
Weight, g/mol:	325.184193
ΔH_f, kcal/mol:	-227.47
Dipole, Da:	4.3
IP(EA), eV:	-9.62(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-fluoro-2-methyl-3-phenylphenyl)-2-methyl-N-(2-methylpropyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCCNC(=O)/C(=C/C1=C(C(=CC(=C1)F)C2=CC=C(C=C2)C(F)(F)F)C)/C

DOS

IR

Vibrations