Geometry & MOs

Info

ID:	73072
PubChem CID:	48416938
Reduced:	ClON6H15C21 (1)
Stoich.:	ABC6D15E21 (1)
Weight, g/mol:	308.102174
ΔH_f, kcal/mol:	118.29
Dipole, Da:	5.43
IP(EA), eV:	-9.19(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)CC(=O)N4C(=C(C=N4)C#N)N

DOS

IR

Vibrations