Geometry & MOs

Info

ID:	124398
PubChem CID:	50881739
Reduced:	ON4H14C17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	290.116761
ΔH_f, kcal/mol:	80.76
Dipole, Da:	10.06
IP(EA), eV:	-9.31(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylphenyl)-5-(1,2,4-triazol-4-yl)-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N4C=NN=C4)C

DOS

IR

Vibrations