Geometry & MOs

Info

ID:	379640
PubChem CID:	134453206
Reduced:	N2Cl3O5H17C19 (1)
Stoich.:	A2B3C5D17E19 (1)
Weight, g/mol:	395.034065
ΔH_f, kcal/mol:	-133.35
Dipole, Da:	5.73
IP(EA), eV:	-9.01(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-4-[2-methyl-4-oxo-5-(1H-pyrazol-5-yl)-1,7-naphthyridin-1-yl]benzonitrile

Drug info:

PubChemData

Smile

COCC1=CC(=O)C2=C(N1C3=C(C=CC=C3Cl)Cl)C(=CN=C2OCC(CO)O)Cl

DOS

IR

Vibrations