Geometry & MOs

Info

ID:	275316
PubChem CID:	103815117
Reduced:	SN2O3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	189.136493
ΔH_f, kcal/mol:	-92.78
Dipole, Da:	5.0
IP(EA), eV:	-10.18(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-hydroxyhexyl(methyl)amino]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)S(=O)(=O)NCC2CCCC2O

DOS

IR

Vibrations