Geometry & MOs

Info

ID:	129510
PubChem CID:	51072890
Reduced:	N2O4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	321.157623
ΔH_f, kcal/mol:	-138.57
Dipole, Da:	7.38
IP(EA), eV:	-8.6(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C(=O)NCCN2CCOCC2

DOS

IR

Vibrations