Geometry & MOs

Info

ID:	155140
PubChem CID:	56320771
Reduced:	NO2C13H13 (2)
Stoich.:	AB2C13D13 (2)
Weight, g/mol:	433.03862
ΔH_f, kcal/mol:	-120.4
Dipole, Da:	4.31
IP(EA), eV:	-8.71(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2-iodo-4,5-dimethoxybenzoyl)piperidine-4-carboxylate

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=C(C3=CC=CC=C3C=C2)O)C(=O)NCC4CC5=CC=CC=C5OC4

DOS

IR

Vibrations