Geometry & MOs

Info

ID:	244051
PubChem CID:	99309526
Reduced:	N2O5C24H30 (1)
Stoich.:	A2B5C24D30 (1)
Weight, g/mol:	493.221286
ΔH_f, kcal/mol:	-178.59
Dipole, Da:	4.83
IP(EA), eV:	-8.94(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1OC)C(=O)NC2CCN(CC2)C(=O)CC3=CC(=CC=C3)OC)OC

DOS

IR

Vibrations