Geometry & MOs

Info

ID:	355524
PubChem CID:	127288587
Reduced:	ON5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	337.110566
ΔH_f, kcal/mol:	12.24
Dipole, Da:	6.93
IP(EA), eV:	-9.08(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C(C)NC2CCC3=NC=NN3C2

DOS

IR

Vibrations