Geometry & MOs

Info

ID:	77919
PubChem CID:	49674567
Reduced:	NO5C24H25 (1)
Stoich.:	AB5C24D25 (1)
Weight, g/mol:	384.147393
ΔH_f, kcal/mol:	-183.37
Dipole, Da:	2.82
IP(EA), eV:	-8.86(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyridin-2-ylmethyl 2-(4-ethylphenyl)-1-oxoisoquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)OCC(=O)OC(C)(C)C

DOS

IR

Vibrations