Geometry & MOs

Info

ID:	41507
PubChem CID:	8146031
Reduced:	FON2H19C28 (1)
Stoich.:	ABC2D19E28 (1)
Weight, g/mol:	386.205301
ΔH_f, kcal/mol:	48.78
Dipole, Da:	3.46
IP(EA), eV:	-8.41(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-acetamido-2-[[(3R)-3-ethoxycarbonylpiperidin-1-yl]methyl]propanedioate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=NC4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations