Geometry & MOs

Info

ID:	256269
PubChem CID:	103138107
Reduced:	N3C13H15 (1)
Stoich.:	A3B13C15 (1)
Weight, g/mol:	278.153147
ΔH_f, kcal/mol:	53.4
Dipole, Da:	3.45
IP(EA), eV:	-7.67(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[isoquinolin-8-yl-(5-methylpyrazin-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

C1CC(C1)NC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations