Geometry & MOs

Info

ID:	302592
PubChem CID:	124385219
Reduced:	NO2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	366.186481
ΔH_f, kcal/mol:	-82.04
Dipole, Da:	4.88
IP(EA), eV:	-9.48(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-[(1S,3aS,4S,7aS)-4-hydroxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2[C@@]3(C1)CCC(=O)NC3=O

DOS

IR

Vibrations