Geometry & MOs

Info

ID:	342054
PubChem CID:	127264767
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	334.179361
ΔH_f, kcal/mol:	-83.28
Dipole, Da:	5.39
IP(EA), eV:	-9.73(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-propan-2-ylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)but-3-enamide

Drug info:

PubChemData

Smile

CCC(C1=CC=NC=C1)NC(=O)C2CCC(=O)C(C2)C

DOS

IR

Vibrations