Geometry & MOs

Info

ID:	383805
PubChem CID:	134975740
Reduced:	IO4H11C13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	220.182715
ΔH_f, kcal/mol:	-102.7
Dipole, Da:	1.73
IP(EA), eV:	-9.34(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-1-ethynyl-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C(C=C1C2=CC=CO2)O)I

DOS

IR

Vibrations