Geometry & MOs

Info

ID:	80300
PubChem CID:	49833892
Reduced:	N2O3C21H22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	354.174356
ΔH_f, kcal/mol:	-58.51
Dipole, Da:	4.63
IP(EA), eV:	-8.6(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(diethylamino)ethoxy]-7-fluoro-3-phenyl-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

C1COCCN1CCOC2=C(NC(=O)C3=CC=CC=C32)C4=CC=CC=C4

DOS

IR

Vibrations