Geometry & MOs

Info

ID:	225204
PubChem CID:	85747918
Reduced:	LiC17H29 (1)
Stoich.:	AB17C29 (1)
Weight, g/mol:	226.135765
ΔH_f, kcal/mol:	-47.43
Dipole, Da:	7.29
IP(EA), eV:	-7.08(2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6,7,8,9,10-hexahydrobenzo[a]heptalen-7-ol

Drug info:

PubChemData

Smile

[Li+].CC(C)[C-]1C=C(C(=C1C(C)C)C(C)C)C(C)C

DOS

IR

Vibrations