Geometry & MOs

Info

ID:	384806
PubChem CID:	134977706
Reduced:	PC25H28 (1)
Stoich.:	AB25C28 (1)
Weight, g/mol:	359.192863
ΔH_f, kcal/mol:	43.14
Dipole, Da:	8.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.942578
Charge, e:	1

Chem-info

IUPAC name:

3,8,9-trimethyl-2,2-diphenyl-1,3,4,5-tetrahydro-2-benzophosphepin-2-ium

Drug info:

PubChemData

Smile

CC1C([P+](CC2=C1C=CC(=C2C)C)(C3=CC=CC=C3)C4=CC=CC=C4)C

DOS

IR

Vibrations