Geometry & MOs

Info

ID:	73241
PubChem CID:	48417257
Reduced:	ClO2N5H12C14 (1)
Stoich.:	AB2C5D12E14 (1)
Weight, g/mol:	316.096026
ΔH_f, kcal/mol:	3.48
Dipole, Da:	3.26
IP(EA), eV:	-9.58(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(3-methylbenzo[g][1]benzofuran-2-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NCCC(=O)N2C(=C(C=N2)C#N)N)Cl

DOS

IR

Vibrations