Geometry & MOs

Info

ID:	404528
PubChem CID:	135066685
Reduced:	NO4C17H19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	208.182715
ΔH_f, kcal/mol:	-116.29
Dipole, Da:	1.87
IP(EA), eV:	-8.52(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,8aS)-7-tert-butyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-ol

Drug info:

PubChemData

Smile

CCC1C=CC=C(N1C(=O)OCC)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations