Geometry & MOs

Info

ID:	175912
PubChem CID:	75967682
Reduced:	ClO2S2H17C21 (1)
Stoich.:	AB2C2D17E21 (1)
Weight, g/mol:	328.215078
ΔH_f, kcal/mol:	-0.42
Dipole, Da:	3.28
IP(EA), eV:	-8.46(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(8-cyclohexyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C=C(C(=O)C2=CC=C(C=C2)Cl)SC3=CC=C(C=C3)OC

DOS

IR

Vibrations