Geometry & MOs

Info

ID:	178480
PubChem CID:	76335738
Reduced:	ClO2N7H24C26 (1)
Stoich.:	AB2C7D24E26 (1)
Weight, g/mol:	295.179696
ΔH_f, kcal/mol:	46.35
Dipole, Da:	5.99
IP(EA), eV:	-8.26(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethylpiperidin-1-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C(=CC2=CN=C(C=C21)NC3=C(C=C(C=C3)C4=CN=CN=C4)Cl)C5=CN(N=C5)C

DOS

IR

Vibrations