Geometry & MOs

Info

ID:	126850
PubChem CID:	50981627
Reduced:	O2N4H16C19 (1)
Stoich.:	A2B4C16D19 (1)
Weight, g/mol:	308.163711
ΔH_f, kcal/mol:	54.14
Dipole, Da:	4.63
IP(EA), eV:	-9.18(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-cyclopropyl-2-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]-3,5-dimethyl-1,2-oxazole

Drug info:

PubChemData

Smile

C1CC1C2=NN(C(=N2)CN3C4=CC=CC=C4OC3=O)C5=CC=CC=C5

DOS

IR

Vibrations