Geometry & MOs

Info

ID:	73158
PubChem CID:	48417113
Reduced:	OF2N4H6C11 (1)
Stoich.:	AB2C4D6E11 (1)
Weight, g/mol:	303.078996
ΔH_f, kcal/mol:	-25.84
Dipole, Da:	4.23
IP(EA), eV:	-9.48(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(5-amino-4-cyanopyrazol-1-yl)-4-oxobutyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations