Geometry & MOs

Info

ID:	433050
PubChem CID:	135173187
Reduced:	N2H30C41 (1)
Stoich.:	A2B30C41 (1)
Weight, g/mol:	379.175673
ΔH_f, kcal/mol:	194.67
Dipole, Da:	2.09
IP(EA), eV:	-8.67(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-7-[4-(1-methylindazol-5-yl)oxypiperidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one

Drug info:

PubChemData

Smile

C1C=CC=CC1C2=CC(=NC(=C2)C3=CC4=C(C=C3)C5=CC=CC=C5C4(C6=CC=CC=C6)C7=CC=CC=N7)C8=CC=CC=C8

DOS

IR

Vibrations