Geometry & MOs

Info

ID:	80468
PubChem CID:	49834595
Reduced:	N2O3C25H30 (1)
Stoich.:	A2B3C25D30 (1)
Weight, g/mol:	390.137971
ΔH_f, kcal/mol:	-84.84
Dipole, Da:	5.9
IP(EA), eV:	-8.27(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)NC(=C2OCCCN3CCCCC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations