Geometry & MOs

Info

ID:	346347
PubChem CID:	127270851
Reduced:	OSN4C18H20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	360.169859
ΔH_f, kcal/mol:	42.25
Dipole, Da:	5.13
IP(EA), eV:	-8.91(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-1H-indazol-7-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N3CCN(CC3)CC4=CC=CS4)NN=C2

DOS

IR

Vibrations