Geometry & MOs

Info

ID:	73029
PubChem CID:	48416838
Reduced:	ON7H15C19 (1)
Stoich.:	AB7C15D19 (1)
Weight, g/mol:	341.067952
ΔH_f, kcal/mol:	129.96
Dipole, Da:	3.89
IP(EA), eV:	-9.21(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)N4C(=C(C=N4)C#N)N)C

DOS

IR

Vibrations