Geometry & MOs

Info

ID:	384198
PubChem CID:	134976512
Reduced:	PC25H28 (1)
Stoich.:	AB25C28 (1)
Weight, g/mol:	359.192863
ΔH_f, kcal/mol:	43.21
Dipole, Da:	7.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.941635
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1C[P+](CC2=C1C=CC(=C2C)C)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations