Geometry & MOs

Info

ID:	77917
PubChem CID:	49674535
Reduced:	N2O5H22C26 (1)
Stoich.:	A2B5C22D26 (1)
Weight, g/mol:	379.141973
ΔH_f, kcal/mol:	-99.68
Dipole, Da:	4.04
IP(EA), eV:	-8.39(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethoxy-2-oxoethyl) 2-(4-ethylphenyl)-1-oxoisoquinoline-4-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4)C(=C2)OCC(=O)OC

DOS

IR

Vibrations