Geometry & MOs

Info

ID:	256389
PubChem CID:	103138965
Reduced:	ON2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-30.77
Dipole, Da:	4.55
IP(EA), eV:	-8.46(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-aminoisoquinolin-8-yl)-N-methylmorpholine-3-carboxamide

Drug info:

PubChemData

Smile

C1COCC(N1C2=C3C=NC=CC3=C(C=C2)N)C(=O)N

DOS

IR

Vibrations