Geometry & MOs

Info

ID:	326387
PubChem CID:	126687448
Reduced:	NSO2C22H27 (1)
Stoich.:	ABC2D22E27 (1)
Weight, g/mol:	156.11503
ΔH_f, kcal/mol:	-68.73
Dipole, Da:	2.78
IP(EA), eV:	-8.45(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-2-hydroxy-4-methylcyclohexyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2(C[C@@H]3CN(C[C@@H]3C2)C(C)SC4=CC=C(C=C4)O)O

DOS

IR

Vibrations