Geometry & MOs

Info

ID:	249548
PubChem CID:	103090399
Reduced:	NSO2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	245.14495
ΔH_f, kcal/mol:	-71.27
Dipole, Da:	7.87
IP(EA), eV:	-8.52(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylsulfanylbutylamino)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CN(CCCCSC)CC1=CC=C(C=C1)C(=O)O

DOS

IR

Vibrations