Geometry & MOs

Info

ID:	25258
PubChem CID:	621657
Reduced:	BrN2H11C12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	440.12685
ΔH_f, kcal/mol:	70.82
Dipole, Da:	1.65
IP(EA), eV:	-8.88(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bromo-heptyl-triphenyl-lambda5-phosphane

Drug info:

PubChemData

Smile

C1=CNC(=C1)C=NCC2=CC=C(C=C2)Br

DOS

IR

Vibrations