Geometry & MOs

Info

ID:	26487
PubChem CID:	650094
Reduced:	ON3C12H16 (2)
Stoich.:	AB3C12D16 (2)
Weight, g/mol:	276.137497
ΔH_f, kcal/mol:	-15.39
Dipole, Da:	4.39
IP(EA), eV:	-8.79(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethyl-3-pyridin-3-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3CCCO3)CC4=NN=NN4C5CCCCC5

DOS

IR

Vibrations