Geometry & MOs

Info

ID:	391040
PubChem CID:	135002393
Reduced:	NOCl2H7C9 (1)
Stoich.:	ABC2D7E9 (1)
Weight, g/mol:	264.151415
ΔH_f, kcal/mol:	-0.23
Dipole, Da:	1.9
IP(EA), eV:	-10.04(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,3S)-3-methyl-1,6-diphenylhex-4-en-2-one

Drug info:

PubChemData

Smile

C=CCC(=O)C1=CC(=C(N=C1)Cl)Cl

DOS

IR

Vibrations