Geometry & MOs

Info

ID:	261766
PubChem CID:	103249987
Reduced:	NSO2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	255.219829
ΔH_f, kcal/mol:	-89.33
Dipole, Da:	4.15
IP(EA), eV:	-8.95(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclohexylpropylamino)hexanoic acid

Drug info:

PubChemData

Smile

CCC(C1CCCCC1)NCC2=C(SC=C2)C(=O)O

DOS

IR

Vibrations