Geometry & MOs

Info

ID:	14877
PubChem CID:	423357
Reduced:	ClPBr2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	399.91809
ΔH_f, kcal/mol:	-9.48
Dipole, Da:	14.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753632
Charge, e:	0

Chem-info

IUPAC name:

3,4-dibromo-1-[2-(4-chlorophenyl)ethyl]-1-methyl-1lambda5-phospholane

Drug info:

PubChemData

Smile

CP1(CC(C(C1)Br)Br)CCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations