Geometry & MOs

Info

ID:	135378
PubChem CID:	51863423
Reduced:	SO2N3H21C23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	225.160303
ΔH_f, kcal/mol:	17.7
Dipole, Da:	6.26
IP(EA), eV:	-8.56(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl (3R)-1-[(2R)-2-cyanopropyl]piperidin-1-ium-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C2=CC=CC=C2)SC3=NC=C4N3C=CC=C4

DOS

IR

Vibrations