Geometry & MOs

Info

ID:	254932
PubChem CID:	103128756
Reduced:	OCl2N2H12C15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	276.101111
ΔH_f, kcal/mol:	18.96
Dipole, Da:	4.53
IP(EA), eV:	-8.89(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanol

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(C3=C(C=CC(=C3)Cl)Cl)O

DOS

IR

Vibrations