Geometry & MOs

Info

ID:	348341
PubChem CID:	127273406
Reduced:	ON3C10H12 (2)
Stoich.:	AB3C10D12 (2)
Weight, g/mol:	382.191738
ΔH_f, kcal/mol:	43.17
Dipole, Da:	3.96
IP(EA), eV:	-9.8(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide

Drug info:

PubChemData

Smile

CCCC1=NOC2=C1C(=CC(=N2)C3CC3)C(=O)NC4CCC5=NC(=NN5C4)C

DOS

IR

Vibrations