Geometry & MOs

Info

ID:	320526
PubChem CID:	126661580
Reduced:	ON3C23H23 (1)
Stoich.:	AB3C23D23 (1)
Weight, g/mol:	359.169685
ΔH_f, kcal/mol:	110.23
Dipole, Da:	5.62
IP(EA), eV:	-8.45(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-(3,4-difluorophenyl)-5-methoxy-2-methylphenyl]-2-methyl-N-propylprop-2-enamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=CC=C2NC(=O)C3=CC4C=C4C(=N3)C5=CC=CCC5

DOS

IR

Vibrations