Geometry & MOs

Info

ID:	68315
PubChem CID:	46508175
Reduced:	N3O4C21H21 (1)
Stoich.:	A3B4C21D21 (1)
Weight, g/mol:	453.164833
ΔH_f, kcal/mol:	-75.91
Dipole, Da:	6.18
IP(EA), eV:	-8.37(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)OC)OC(=O)C2=CC=C(C=C2)CN3C=CC=N3

DOS

IR

Vibrations