Geometry & MOs

Info

ID:	73345
PubChem CID:	48417484
Reduced:	FO2N6H13C16 (1)
Stoich.:	AB2C6D13E16 (1)
Weight, g/mol:	328.074245
ΔH_f, kcal/mol:	26.7
Dipole, Da:	4.96
IP(EA), eV:	-9.46(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NOC(=N2)CCCC(=O)N3C(=C(C=N3)C#N)N)F

DOS

IR

Vibrations