Geometry & MOs

Info

ID:	378563
PubChem CID:	134224654
Reduced:	NC16H29 (1)
Stoich.:	AB16C29 (1)
Weight, g/mol:	443.249415
ΔH_f, kcal/mol:	-32.35
Dipole, Da:	2.66
IP(EA), eV:	-8.48(1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[6-[4-(trimethyl-lambda4-sulfanyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCC(CCCC)C1=CN(C=C1)C

DOS

IR

Vibrations