Geometry & MOs

Info

ID:	68251
PubChem CID:	46508052
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	423.154269
ΔH_f, kcal/mol:	-109.14
Dipole, Da:	6.44
IP(EA), eV:	-8.18(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methyl-6-nitroanilino)-2-oxoethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCOCC3)OCC

DOS

IR

Vibrations