Geometry & MOs

Info

ID:	73120
PubChem CID:	48417032
Reduced:	ClO3N4H11C14 (1)
Stoich.:	AB3C4D11E14 (1)
Weight, g/mol:	246.057532
ΔH_f, kcal/mol:	-18.31
Dipole, Da:	8.18
IP(EA), eV:	-9.34(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2=C(C(=CC(=C2)C(=O)N3C(=C(C=N3)C#N)N)Cl)OC1

DOS

IR

Vibrations