Geometry & MOs

Info

ID:	80241
PubChem CID:	49833701
Reduced:	FN2O2C23H25 (1)
Stoich.:	AB2C2D23E25 (1)
Weight, g/mol:	314.106671
ΔH_f, kcal/mol:	-85.49
Dipole, Da:	5.88
IP(EA), eV:	-8.73(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminoethoxy)-7-fluoro-3-(3-hydroxyphenyl)-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

C1CCN(CC1)CCCOC2=C(NC(=O)C3=C2C=C(C=C3)F)C4=CC=CC=C4

DOS

IR

Vibrations