Geometry & MOs

Info

ID:	190320
PubChem CID:	77985125
Reduced:	IOC12H13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	328.03241
ΔH_f, kcal/mol:	-0.63
Dipole, Da:	3.56
IP(EA), eV:	-9.47(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-3,4,4-trimethyl-1-phenylpent-2-en-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations