Geometry & MOs

Info

ID:	399828
PubChem CID:	135042966
Reduced:	O2C6H7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	228.151415
ΔH_f, kcal/mol:	-104.98
Dipole, Da:	3.95
IP(EA), eV:	-9.16(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol

Drug info:

PubChemData

Smile

COCOC1=CC(=C(C=C1)OCC=C)C=O

DOS

IR

Vibrations