Geometry & MOs

Info

ID:	175654
PubChem CID:	75931672
Reduced:	O4N5C21H25 (1)
Stoich.:	A4B5C21D25 (1)
Weight, g/mol:	418.200491
ΔH_f, kcal/mol:	-76.68
Dipole, Da:	5.73
IP(EA), eV:	-9.06(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,4-dimethylphenoxy)methyl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCCC(C1=NN=C2N1C=CC=C2)NC(=O)C3=CC(=C(C=C3)OCC(=O)NC)OC

DOS

IR

Vibrations