Geometry & MOs

Info

ID:	222634
PubChem CID:	85305661
Reduced:	N2O5C21H24 (1)
Stoich.:	A2B5C21D24 (1)
Weight, g/mol:	384.087685
ΔH_f, kcal/mol:	-122.01
Dipole, Da:	7.75
IP(EA), eV:	-9.24(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-benzamido-6-(6-chloropyridin-3-yl)-4-oxocyclohex-2-ene-1-carboxylate

Drug info:

PubChemData

Smile

CN(C(CCC[N+](=CC1=CC=CC=C1)[O-])C(=O)O)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations