Geometry & MOs

Info

ID:	73003
PubChem CID:	48416789
Reduced:	ON5H9C11 (1)
Stoich.:	AB5C9D11 (1)
Weight, g/mol:	350.149124
ΔH_f, kcal/mol:	64.11
Dipole, Da:	6.14
IP(EA), eV:	-9.4(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations