Geometry & MOs

Info

ID:	256244
PubChem CID:	103137932
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	265.132746
ΔH_f, kcal/mol:	-3.44
Dipole, Da:	4.71
IP(EA), eV:	-7.95(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-[(2-methylpyrimidin-4-yl)methyl]isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

C1CC(COC1)CNC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations