Geometry & MOs

Info

ID:	41606
PubChem CID:	8146483
Reduced:	SO3N4C21H28 (1)
Stoich.:	AB3C4D21E28 (1)
Weight, g/mol:	344.186183
ΔH_f, kcal/mol:	-49.53
Dipole, Da:	3.75
IP(EA), eV:	-8.24(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl (3S)-1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]piperidin-1-ium-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCN(C1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)OC)CC=C

DOS

IR

Vibrations