Geometry & MOs

Info

ID:	216712
PubChem CID:	85086657
Reduced:	OC6H10 (3)
Stoich.:	AB6C10 (3)
Weight, g/mol:	294.219495
ΔH_f, kcal/mol:	-161.89
Dipole, Da:	5.37
IP(EA), eV:	-9.45(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(hydroxymethyl)-1,6-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate

Drug info:

PubChemData

Smile

CCC=CC(CC)CC1(CC(C(=CC(=O)OC)O1)CC)C

DOS

IR

Vibrations