Geometry & MOs

Info

ID:	387467
PubChem CID:	134985488
Reduced:	PC23H24 (1)
Stoich.:	AB23C24 (1)
Weight, g/mol:	489.1221
ΔH_f, kcal/mol:	52.36
Dipole, Da:	8.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.941395
Charge, e:	0

Chem-info

IUPAC name:

N-[bromo(triphenyl)-lambda5-phosphanyl]-N-tert-butylaniline

Drug info:

PubChemData

Smile

CC1=C2C[P+](CCCC2=CC=C1)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations