Geometry & MOs

Info

ID:	141064
PubChem CID:	52812018
Reduced:	N2O4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	395.149951
ΔH_f, kcal/mol:	-156.56
Dipole, Da:	4.68
IP(EA), eV:	-8.68(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-1-[(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enoyl]piperidine-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCCN1C(=O)/C=C/C2=CC=C(C=C2)N3CCCC3=O

DOS

IR

Vibrations