Geometry & MOs

Info

ID:	73159
PubChem CID:	48417115
Reduced:	SO2N5C13H13 (1)
Stoich.:	AB2C5D13E13 (1)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	15.65
Dipole, Da:	2.7
IP(EA), eV:	-9.51(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(2-tert-butylphenoxy)acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CSC=C1C(=O)NCCCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations