Geometry & MOs

Info

ID:	408919
PubChem CID:	135081691
Reduced:	BC12H21 (1)
Stoich.:	AB12C21 (1)
Weight, g/mol:	196.044187
ΔH_f, kcal/mol:	50.07
Dipole, Da:	1.8
IP(EA), eV:	-7.89(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzo[f]isophosphinoline

Drug info:

PubChemData

Smile

[B][C@@H]1C[C@@H]2C[C@H]([C@H]1CCC)C2(C)C

DOS

IR

Vibrations