Geometry & MOs

Info

ID:	48109
PubChem CID:	10537201
Reduced:	NOSC12H19 (1)
Stoich.:	ABCD12E19 (1)
Weight, g/mol:	226.156895
ΔH_f, kcal/mol:	-35.79
Dipole, Da:	1.82
IP(EA), eV:	-8.55(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S,4aR,7S,8S,8aS)-3,8-bis(hydroxymethyl)-7-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol

Drug info:

PubChemData

Smile

CC(C)[C@@H](CSC1=CC=C(C=C1)OC)N

DOS

IR

Vibrations