Geometry & MOs

Info

ID:	400745
PubChem CID:	135048949
Reduced:	BC17H26 (1)
Stoich.:	AB17C26 (1)
Weight, g/mol:	268.211079
ΔH_f, kcal/mol:	15.5
Dipole, Da:	0.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751145
Charge, e:	1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[B-]([C@H]1CCC[C@@H]1C2=CC=CC=C2)C(C)(C)C(C)C

DOS

IR

Vibrations