Geometry & MOs

Info

ID:	73145
PubChem CID:	48417078
Reduced:	O3N4C14H14 (1)
Stoich.:	A3B4C14D14 (1)
Weight, g/mol:	285.948287
ΔH_f, kcal/mol:	-27.15
Dipole, Da:	6.86
IP(EA), eV:	-8.99(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(2,5-dichlorothiophene-3-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations