Geometry & MOs

Info

ID:	424159
PubChem CID:	135121558
Reduced:	FO2N4H19C21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	370.131742
ΔH_f, kcal/mol:	-61.2
Dipole, Da:	8.11
IP(EA), eV:	-8.48(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(benzylamino)-3-(4-methoxyphenyl)isoquinoline-5,8-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)NC2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)F)N

DOS

IR

Vibrations