Geometry & MOs

Info

ID:	257191
PubChem CID:	103144295
Reduced:	N2H7C8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	266.116761
ΔH_f, kcal/mol:	102.52
Dipole, Da:	3.48
IP(EA), eV:	-9.25(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-isoquinolin-8-yl-2-(methoxymethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CC1C2=NC(=CC(=N2)N)C3=CC=CC4=C3C=NC=C4

DOS

IR

Vibrations