Geometry & MOs

Info

ID:	73289
PubChem CID:	48417374
Reduced:	SO4N5C16H17 (1)
Stoich.:	AB4C5D16E17 (1)
Weight, g/mol:	271.106925
ΔH_f, kcal/mol:	-57.32
Dipole, Da:	9.72
IP(EA), eV:	-9.43(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)-5-aminopyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)N2C(=C(C=N2)C#N)N)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations