Geometry & MOs

Info

ID:	40885
PubChem CID:	8144903
Reduced:	N3O4C22H29 (1)
Stoich.:	A3B4C22D29 (1)
Weight, g/mol:	308.149798
ΔH_f, kcal/mol:	-172.99
Dipole, Da:	2.59
IP(EA), eV:	-8.92(0.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 1-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CN2C(=O)[C@](NC2=O)(C)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations