Geometry & MOs

Info

ID:	257181
PubChem CID:	103144251
Reduced:	ON2H5C7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	278.153147
ΔH_f, kcal/mol:	76.95
Dipole, Da:	6.56
IP(EA), eV:	-9.25(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-6-isoquinolin-8-yl-N,5-dimethylpyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C3=C(C=CC(=N3)N)[N+](=O)[O-]

DOS

IR

Vibrations