Geometry & MOs

Info

ID:	254965
PubChem CID:	103129013
Reduced:	ClN2O2H13C15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	280.132411
ΔH_f, kcal/mol:	-5.47
Dipole, Da:	3.42
IP(EA), eV:	-8.93(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyrazolo[1,5-a]pyrazin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(C2=C3C=CC=CN3N=C2)O)Cl

DOS

IR

Vibrations