Geometry & MOs

Info

ID:	400537
PubChem CID:	135048266
Reduced:	BClC18H34 (1)
Stoich.:	ABC18D34 (1)
Weight, g/mol:	294.270624
ΔH_f, kcal/mol:	-97.64
Dipole, Da:	1.81
IP(EA), eV:	-9.83(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

B(CCCCCCCC)([C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C)Cl

DOS

IR

Vibrations