Geometry & MOs

Info

ID:	73202
PubChem CID:	48417194
Reduced:	OF2N4H6C11 (1)
Stoich.:	AB2C4D6E11 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-28.11
Dipole, Da:	4.25
IP(EA), eV:	-9.46(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations