Geometry & MOs

Info

ID:	257094
PubChem CID:	103143737
Reduced:	NC4H4 (4)
Stoich.:	AB4C4 (4)
Weight, g/mol:	278.153147
ΔH_f, kcal/mol:	85.02
Dipole, Da:	2.02
IP(EA), eV:	-9.2(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)C(C2=CC=CC3=C2C=NC=C3)NC

DOS

IR

Vibrations