Geometry & MOs

Info

ID:	398546
PubChem CID:	135033778
Reduced:	SP2C28H46 (1)
Stoich.:	AB2C28D46 (1)
Weight, g/mol:	335.188529
ΔH_f, kcal/mol:	-66.06
Dipole, Da:	0.98
IP(EA), eV:	-8.09(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(4-acetylphenyl)-3-(diethylamino)-3-(3-methylphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)P(C2CCCCC2)C3=C(SC=C3)P(C4CCCCC4)C5CCCCC5

DOS

IR

Vibrations