Geometry & MOs

Info

ID:	320447
PubChem CID:	126661062
Reduced:	ON3F4H13C20 (1)
Stoich.:	AB3C4D13E20 (1)
Weight, g/mol:	373.185335
ΔH_f, kcal/mol:	-147.19
Dipole, Da:	7.35
IP(EA), eV:	-9.41(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-butyl-3-[2,3-difluoro-5-(4-methoxyphenyl)-6-methylphenyl]-2-methylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C1=C2C(=O)NCCN2C3=C1C=C(C=C3C4=CC(=C(C=C4)F)F)C#N)(F)F

DOS

IR

Vibrations