Geometry & MOs

Info

ID:	245005
PubChem CID:	99432100
Reduced:	N2O5C22H22 (1)
Stoich.:	A2B5C22D22 (1)
Weight, g/mol:	494.205301
ΔH_f, kcal/mol:	-152.81
Dipole, Da:	3.25
IP(EA), eV:	-8.97(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]amino]methyl]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=CC(=C1)C(=O)NCC2=C(OC3=CC=CC=C32)C(=O)OCC

DOS

IR

Vibrations