Geometry & MOs

Info

ID:	289921
PubChem CID:	104387051
Reduced:	ClON4C14H23 (1)
Stoich.:	ABC4D14E23 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-50.09
Dipole, Da:	5.05
IP(EA), eV:	-9.39(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-1-oxoisoquinolin-2-yl)-N,N-diethylacetamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC1=CC(=NC(=N1)C(C)(C)C)Cl

DOS

IR

Vibrations