Geometry & MOs

Info

ID:	410116
PubChem CID:	135082905
Reduced:	BrClNOPC26H38 (1)
Stoich.:	ABCDEF26G38 (1)
Weight, g/mol:	358.0486
ΔH_f, kcal/mol:	-61.82
Dipole, Da:	8.29
IP(EA), eV:	-6.99(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-bromo-3,3-diphenyl-3lambda5-phosphabicyclo[3.2.1]oct-6-ene

Drug info:

PubChemData

Smile

CCCCP(CCCC)(CCCC)(C1=C(C=CC(=C1)Cl)C=NC2=CC=C(C=C2)OC)Br

DOS

IR

Vibrations