Geometry & MOs

Info

ID:	384199
PubChem CID:	134976514
Reduced:	PC25H28 (1)
Stoich.:	AB25C28 (1)
Weight, g/mol:	394.11735
ΔH_f, kcal/mol:	41.77
Dipole, Da:	8.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.939729
Charge, e:	0

Chem-info

IUPAC name:

N-[benzyl-bromo-(dimethylamino)-phenyl-lambda5-phosphanyl]-N-ethylethanamine

Drug info:

PubChemData

Smile

CC1CC[P+](CC2=C1C=CC(=C2C)C)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations