Geometry & MOs

Info

ID:	407629
PubChem CID:	135080378
Reduced:	SC16H20 (1)
Stoich.:	AB16C20 (1)
Weight, g/mol:	192.148319
ΔH_f, kcal/mol:	16.56
Dipole, Da:	1.11
IP(EA), eV:	-8.56(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dideuterio-4,4-dimethyl-1-phenylpentan-3-one

Drug info:

PubChemData

Smile

CCC/C=C(\CCC)/C1=CC2=CC=CC=C2S1

DOS

IR

Vibrations