Geometry & MOs

Info

ID:	398059
PubChem CID:	135031583
Reduced:	OC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	326.167065
ΔH_f, kcal/mol:	-102.27
Dipole, Da:	6.37
IP(EA), eV:	-10.34(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-methylphenyl)-1,5-diphenylpent-4-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(=O)O[C@@H](CC1)C(C)C

DOS

IR

Vibrations