Geometry & MOs

Info

ID:	128475
PubChem CID:	51045864
Reduced:	NOC21H25 (1)
Stoich.:	ABC21D25 (1)
Weight, g/mol:	279.162314
ΔH_f, kcal/mol:	-15.87
Dipole, Da:	3.82
IP(EA), eV:	-8.48(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,6-dimethylanilino)-1-(3,4-dimethylphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)N/C=C/C(=O)C2=CC(=C(C=C2)C)C

DOS

IR

Vibrations