Geometry & MOs

Info

ID:	49195
PubChem CID:	11528899
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-139.58
Dipole, Da:	2.83
IP(EA), eV:	-9.2(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,1aR,6S,7S,7aS,7bR)-6-hydroxy-1,7,7a-trimethyl-2,6,7,7b-tetrahydro-1aH-cyclopropa[a]naphthalene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)CC(CC(=O)OC)C(=O)C

DOS

IR

Vibrations