Geometry & MOs

Info

ID:	73257
PubChem CID:	48417290
Reduced:	OSN4C12H12 (1)
Stoich.:	ABC4D12E12 (1)
Weight, g/mol:	260.073182
ΔH_f, kcal/mol:	49.18
Dipole, Da:	4.19
IP(EA), eV:	-9.21(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(5-ethyl-4-methylthiophene-2-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CSC(=C1)CCCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations