Geometry & MOs

Info

ID:	205164
PubChem CID:	80062671
Reduced:	ON2C18H24 (1)
Stoich.:	AB2C18D24 (1)
Weight, g/mol:	317.202465
ΔH_f, kcal/mol:	-19.24
Dipole, Da:	3.66
IP(EA), eV:	-8.74(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methylsulfonylcyclohexyl)-1-propylazepan-4-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)C(CC2=CN=C(C=C2)OC)NC)C

DOS

IR

Vibrations