Geometry & MOs

Info

ID:	73349
PubChem CID:	48417488
Reduced:	ON3H7C8 (2)
Stoich.:	AB3C7D8 (2)
Weight, g/mol:	321.122575
ΔH_f, kcal/mol:	59.85
Dipole, Da:	5.32
IP(EA), eV:	-9.49(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN=C(O2)CCCC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations