Geometry & MOs

Info

ID:	320451
PubChem CID:	126661148
Reduced:	FON2H21C23 (1)
Stoich.:	ABC2D21E23 (1)
Weight, g/mol:	341.154642
ΔH_f, kcal/mol:	10.41
Dipole, Da:	7.04
IP(EA), eV:	-9.97(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-chloro-2-methyl-3-phenylphenyl)-2-methyl-N-propylbut-2-enamide

Drug info:

PubChemData

Smile

C/C/1=C\C2=C(C(=C)CCCCNC1=O)C(=CC(=C2)C#N)C3=CC(=CC=C3)F

DOS

IR

Vibrations