Geometry & MOs

Info

ID:	73256
PubChem CID:	48417287
Reduced:	ClO3N4H11C13 (1)
Stoich.:	AB3C4D11E13 (1)
Weight, g/mol:	260.073182
ΔH_f, kcal/mol:	-17.7
Dipole, Da:	7.6
IP(EA), eV:	-9.09(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(4-thiophen-2-ylbutanoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C(=O)N2C(=C(C=N2)C#N)N)Cl)OC

DOS

IR

Vibrations