Geometry & MOs

Info

ID:	249561
PubChem CID:	103090473
Reduced:	NSO2C12H21 (1)
Stoich.:	ABC2D12E21 (1)
Weight, g/mol:	259.1606
ΔH_f, kcal/mol:	-97.91
Dipole, Da:	8.45
IP(EA), eV:	-8.57(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylsulfanylbutylamino)methyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CSCCCCN1C2CCC1C(C2)C(=O)O

DOS

IR

Vibrations