Geometry & MOs

Info

ID:	38363
PubChem CID:	8032702
Reduced:	ClN3O4C14H14 (1)
Stoich.:	AB3C4D14E14 (1)
Weight, g/mol:	304.191269
ΔH_f, kcal/mol:	-128.1
Dipole, Da:	1.25
IP(EA), eV:	-9.5(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl (3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N2C(=O)[C@@H](C(=O)NC2=O)C=NCCCO)Cl

DOS

IR

Vibrations