Geometry & MOs

Info

ID:	80298
PubChem CID:	49833885
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	294.136828
ΔH_f, kcal/mol:	-21.91
Dipole, Da:	1.1
IP(EA), eV:	-8.3(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminoethoxy)-5-methyl-3-phenyl-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CCC(=O)O)C)C2=CC3=CC=CC=C3CN4C2=NC=C4

DOS

IR

Vibrations