Geometry & MOs

Info

ID:	257195
PubChem CID:	103144321
Reduced:	SN4H10C12 (1)
Stoich.:	AB4C10D12 (1)
Weight, g/mol:	278.153147
ΔH_f, kcal/mol:	104.87
Dipole, Da:	5.47
IP(EA), eV:	-9.05(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-isoquinolin-8-yl-N-methyl-5-propan-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC1=NN=C(S1)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations