Geometry & MOs

Info

ID:	129482
PubChem CID:	51072747
Reduced:	ClNSO3C14H20 (1)
Stoich.:	ABCD3E14F20 (1)
Weight, g/mol:	309.157623
ΔH_f, kcal/mol:	-120.45
Dipole, Da:	4.13
IP(EA), eV:	-9.12(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(3-ethoxycarbonylfuran-2-yl)methyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CCS(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations