Geometry & MOs

Info

ID:	171737
PubChem CID:	75419602
Reduced:	ClON6H13C14 (1)
Stoich.:	ABC6D13E14 (1)
Weight, g/mol:	339.02898
ΔH_f, kcal/mol:	73.92
Dipole, Da:	6.59
IP(EA), eV:	-8.76(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dichlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CN1C(=O)C(=C(C=N1)NC2=NN(C=C2)CC3=CC=CC=N3)Cl

DOS

IR

Vibrations