Geometry & MOs

Info

ID:	400027
PubChem CID:	135044631
Reduced:	OC15H20 (1)
Stoich.:	AB15C20 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	-22.94
Dipole, Da:	5.05
IP(EA), eV:	-9.01(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(3aR,7aS)-6-(hydroxymethyl)-2,2-dimethyl-4-methylidene-1,3,3a,7a-tetrahydroinden-5-ylidene]ethanol

Drug info:

PubChemData

Smile

CC/C=C/[C@H]1[C@@H]2CCCCC2=CC=C1C=O

DOS

IR

Vibrations