Geometry & MOs

Info

ID:	18017
PubChem CID:	533788
Reduced:	NOC7H7 (2)
Stoich.:	ABC7D7 (2)
Weight, g/mol:	242.105528
ΔH_f, kcal/mol:	-27.94
Dipole, Da:	4.01
IP(EA), eV:	-8.86(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-cyano-1-methylisoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1C=CC2=CC=CC=C2C1(C)C#N

DOS

IR

Vibrations