Geometry & MOs

Info

ID:	73250
PubChem CID:	48417281
Reduced:	OSN4H12C17 (1)
Stoich.:	ABC4D12E17 (1)
Weight, g/mol:	322.052447
ΔH_f, kcal/mol:	80.75
Dipole, Da:	6.49
IP(EA), eV:	-9.1(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(4H-thieno[3,2-c]chromene-2-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)N4C(=C(C=N4)C#N)N

DOS

IR

Vibrations