Geometry & MOs

Info

ID:	80425
PubChem CID:	49834393
Reduced:	O2N9C28H37 (1)
Stoich.:	A2B9C28D37 (1)
Weight, g/mol:	294.136828
ΔH_f, kcal/mol:	31.44
Dipole, Da:	6.35
IP(EA), eV:	-8.56(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(methylamino)ethoxy]-3-phenyl-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N1C3=NC4=C(C(=N3)N5CCOCC5)N=C(N4C)CN6CCC(CC6)N7CCOCC7

DOS

IR

Vibrations