Geometry & MOs

Info

ID:	72986
PubChem CID:	48416765
Reduced:	SO3N5H13C14 (1)
Stoich.:	AB3C5D13E14 (1)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	-14.47
Dipole, Da:	8.22
IP(EA), eV:	-9.14(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(2-butan-2-ylphenoxy)acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CN(S(=O)(=O)C1)C2=CC=CC(=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations