Geometry & MOs

Info

ID:	195690
PubChem CID:	78724276
Reduced:	N3O6C16H19 (1)
Stoich.:	A3B6C16D19 (1)
Weight, g/mol:	390.239282
ΔH_f, kcal/mol:	-209.49
Dipole, Da:	3.05
IP(EA), eV:	-8.67(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)CC1C(=O)NCCN1CC(=O)NC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations