Geometry & MOs

Info

ID:	409051
PubChem CID:	135081825
Reduced:	BS2C13H21 (1)
Stoich.:	AB2C13D21 (1)
Weight, g/mol:	196.044187
ΔH_f, kcal/mol:	42.71
Dipole, Da:	2.92
IP(EA), eV:	-7.28(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzo[h]isophosphinoline

Drug info:

PubChemData

Smile

[B][C@@H]1C[C@@H]2C[C@H]([C@H]1CC3SCCS3)C2(C)C

DOS

IR

Vibrations