Geometry & MOs

Info

ID:	253605
PubChem CID:	103119527
Reduced:	SN5H9C10 (1)
Stoich.:	AB5C9D10 (1)
Weight, g/mol:	254.116761
ΔH_f, kcal/mol:	114.14
Dipole, Da:	4.59
IP(EA), eV:	-8.48(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylphenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C3=NN=C(S3)N

DOS

IR

Vibrations