Geometry & MOs

Info

ID:	384807
PubChem CID:	134977708
Reduced:	PC25H28 (1)
Stoich.:	AB25C28 (1)
Weight, g/mol:	392.1017
ΔH_f, kcal/mol:	39.28
Dipole, Da:	8.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.939802
Charge, e:	0

Chem-info

IUPAC name:

N-(benzyl-bromo-phenyl-pyrrolidin-1-yl-lambda5-phosphanyl)-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1CCC2=C(C[P+]1(C3=CC=CC=C3)C4=CC=CC=C4)C(=C(C=C2)C)C

DOS

IR

Vibrations