Geometry & MOs

Info

ID:	13437
PubChem CID:	232193
Reduced:	N2O3C15H16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	272.116092
ΔH_f, kcal/mol:	-77.39
Dipole, Da:	6.81
IP(EA), eV:	-9.74(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-acetyl-3-cyano-1,4-dihydroisoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC2=CC=CC=C2CN1C(=O)C)C#N

DOS

IR

Vibrations