Geometry & MOs

Info

ID:	256382
PubChem CID:	103138903
Reduced:	FNOH14C17 (1)
Stoich.:	ABCD14E17 (1)
Weight, g/mol:	282.148061
ΔH_f, kcal/mol:	-26.88
Dipole, Da:	3.75
IP(EA), eV:	-9.36(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-aminoisoquinolin-8-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(C2=CC=CC3=C2C=NC=C3)O)F

DOS

IR

Vibrations