Geometry & MOs

Info

ID:	256388
PubChem CID:	103138941
Reduced:	NOH7C8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	272.127326
ΔH_f, kcal/mol:	-4.86
Dipole, Da:	2.95
IP(EA), eV:	-9.22(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-aminoisoquinolin-8-yl)morpholine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)C(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations