Geometry & MOs

Info

ID:	355529
PubChem CID:	127288592
Reduced:	OF2N5C15H17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	313.19026
ΔH_f, kcal/mol:	-67.21
Dipole, Da:	2.65
IP(EA), eV:	-9.32(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ylamino)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC=C1F)F)NC2CCC3=NC=NN3C2

DOS

IR

Vibrations