Geometry & MOs

Info

ID:

14878

PubChem CID:

423360

Reduced:

OPC12H16 (1)

Stoich.:

ABC12D16 (1)

Weight, g/mol:

208.101702

ΔHf, kcal/mol:

-17.06

Dipole, Da:

10.93

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754727

Charge, e:

 0

Chem-info

IUPAC name:

1-benzyl-1-methyl-1lambda5-phospholan-3-one

Drug info:

PubChemData

Smile

CP1(CCC(=O)C1)CC2=CC=CC=C2

DOS

IR

Vibrations