Geometry & MOs

Info

ID:	299848
PubChem CID:	117695924
Reduced:	O2N3H17C19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	181.077265
ΔH_f, kcal/mol:	-0.58
Dipole, Da:	3.3
IP(EA), eV:	-8.83(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-aminohexane-1-sulfonic acid

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)OC3=NC=NC(=C3)NC4=CC(=CC=C4)O

DOS

IR

Vibrations