Geometry & MOs

Info

ID:	320497
PubChem CID:	126661448
Reduced:	ClFON2C23H24 (1)
Stoich.:	ABCD2E23F24 (1)
Weight, g/mol:	368.17002
ΔH_f, kcal/mol:	-50.88
Dipole, Da:	4.46
IP(EA), eV:	-9.77(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-butyl-3-[5-cyano-3-(2,4-difluorophenyl)-2-methylphenyl]-2-methylprop-2-enamide

Drug info:

PubChemData

Smile

CCCCNC(=O)/C(=C(\C)/C1=CC(=CC(=C1C)C2=CC(=C(C=C2)Cl)F)C#N)/C

DOS

IR

Vibrations