Geometry & MOs

Info

ID:	387859
PubChem CID:	134987157
Reduced:	N2H6C7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	245.105193
ΔH_f, kcal/mol:	104.62
Dipole, Da:	1.89
IP(EA), eV:	-9.11(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-oxo-2H-isoquinolin-1-yl)propanoate

Drug info:

PubChemData

Smile

C/C=C/NC1=NC=NC(=C1C#N)C2=CC=CC=C2

DOS

IR

Vibrations