Geometry & MOs

Info

ID:	400058
PubChem CID:	135044896
Reduced:	OSC6H13 (1)
Stoich.:	ABC6D13 (1)
Weight, g/mol:	194.167065
ΔH_f, kcal/mol:	-77.87
Dipole, Da:	1.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755632
Charge, e:	0

Chem-info

IUPAC name:

(8aS)-4a,5,6-trimethyl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([S+]1O)C

DOS

IR

Vibrations