Geometry & MOs

Info

ID:	36897
PubChem CID:	8014403
Reduced:	ClN2O4C17H23 (1)
Stoich.:	AB2C4D17E23 (1)
Weight, g/mol:	370.134028
ΔH_f, kcal/mol:	-170.12
Dipole, Da:	7.06
IP(EA), eV:	-8.56(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)CC(=O)NC2=C(C=CC(=C2)Cl)OC

DOS

IR

Vibrations