Geometry & MOs

Info

ID:	348371
PubChem CID:	127273436
Reduced:	BrON4C17H19 (1)
Stoich.:	ABC4D17E19 (1)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	29.97
Dipole, Da:	2.33
IP(EA), eV:	-9.57(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-dihydro-2-benzofuran-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C3CC3C4=CC(=CC=C4)Br

DOS

IR

Vibrations