Geometry & MOs

Info

ID:	70889
PubChem CID:	48414002
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	345.137179
ΔH_f, kcal/mol:	-24.79
Dipole, Da:	5.68
IP(EA), eV:	-9.25(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations