Geometry & MOs

Info

ID:	256531
PubChem CID:	103139741
Reduced:	SN3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	279.100777
ΔH_f, kcal/mol:	101.14
Dipole, Da:	2.0
IP(EA), eV:	-9.26(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-aminoisoquinolin-8-yl)oxybenzamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(C3=CC=CS3)NN

DOS

IR

Vibrations