Geometry & MOs

Info

ID:	348313
PubChem CID:	127273378
Reduced:	OF3N4C18H19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	362.152495
ΔH_f, kcal/mol:	-133.72
Dipole, Da:	4.66
IP(EA), eV:	-9.44(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C3CC3C4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations