Geometry & MOs

Info

ID:	52109
PubChem CID:	12014894
Reduced:	OC16H22 (1)
Stoich.:	AB16C22 (1)
Weight, g/mol:	230.167065
ΔH_f, kcal/mol:	-39.34
Dipole, Da:	2.23
IP(EA), eV:	-9.2(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4,5,5-trimethyl-7-phenylhept-6-en-3-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations