Geometry & MOs

Info

ID:	9964
PubChem CID:	95494
Reduced:	OC13H16 (1)
Stoich.:	AB13C16 (1)
Weight, g/mol:	188.120115
ΔH_f, kcal/mol:	-19.61
Dipole, Da:	3.16
IP(EA), eV:	-9.45(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-1-phenylpent-1-en-3-one

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)C=CC1=CC=CC=C1

DOS

IR

Vibrations