Geometry & MOs

Info

ID:	348298
PubChem CID:	127273363
Reduced:	ON7C20H27 (1)
Stoich.:	AB7C20D27 (1)
Weight, g/mol:	354.180424
ΔH_f, kcal/mol:	30.48
Dipole, Da:	2.34
IP(EA), eV:	-9.36(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-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)C3=CC(=NC4=C3C=NN4C(C)C)C(C)C

DOS

IR

Vibrations