Geometry & MOs

Info

ID:	175655
PubChem CID:	75931673
Reduced:	O3N4C24H26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	362.174276
ΔH_f, kcal/mol:	-18.42
Dipole, Da:	3.29
IP(EA), eV:	-9.14(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCCC(C1=NN=C2N1C=CC=C2)NC(=O)C3=CC=C(O3)COC4=C(C=C(C=C4)C)C

DOS

IR

Vibrations