Geometry & MOs

Info

ID:	379185
PubChem CID:	134356680
Reduced:	NOC9H19 (1)
Stoich.:	ABC9D19 (1)
Weight, g/mol:	400.212393
ΔH_f, kcal/mol:	-64.33
Dipole, Da:	1.93
IP(EA), eV:	-8.88(2.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[6-(dimethylamino)pyridin-3-yl]-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

Drug info:

PubChemData

Smile

CCNC1CCCOCCC1

DOS

IR

Vibrations