Geometry & MOs

Info

ID:	257193
PubChem CID:	103144318
Reduced:	Cl2N3H11C15 (1)
Stoich.:	A2B3C11D15 (1)
Weight, g/mol:	250.121846
ΔH_f, kcal/mol:	68.2
Dipole, Da:	1.3
IP(EA), eV:	-8.79(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-isoquinolin-8-ylpyrazin-2-amine

Drug info:

PubChemData

Smile

CNC1=C(C=C(C(=N1)C2=CC=CC3=C2C=NC=C3)Cl)Cl

DOS

IR

Vibrations