Geometry & MOs

Info

ID:	343047
PubChem CID:	127266220
Reduced:	O3N4C15H18 (1)
Stoich.:	A3B4C15D18 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-62.27
Dipole, Da:	3.8
IP(EA), eV:	-9.39(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(cyclopentylamino)-2-oxoethyl]-N,N-dimethyl-1-oxoisoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC=CC(=N1)NCCC2=NC(=CC=C2)OC

DOS

IR

Vibrations