Geometry & MOs

Info

ID:	154040
PubChem CID:	56313405
Reduced:	FON3C22H22 (1)
Stoich.:	ABC3D22E22 (1)
Weight, g/mol:	357.174022
ΔH_f, kcal/mol:	6.37
Dipole, Da:	3.38
IP(EA), eV:	-9.02(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,5-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)/C=C/C1=CN(N=C1)C2=CC=CC=C2)C3=CC=CC=C3F

DOS

IR

Vibrations