Geometry & MOs

Info

ID:	320297
PubChem CID:	126659364
Reduced:	NI2O3C21H29 (1)
Stoich.:	AB2C3D21E29 (1)
Weight, g/mol:	453.92906
ΔH_f, kcal/mol:	-125.51
Dipole, Da:	2.62
IP(EA), eV:	-9.48(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,4-bis(iodomethyl)phenyl]-2-methylidenepentan-1-one

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C1)C(=O)OC(C)(C)C)C(=O)C2=CC(=C(C=C2)CI)CI

DOS

IR

Vibrations