Geometry & MOs

Info

ID:	72995
PubChem CID:	48416775
Reduced:	OSF2N4H8C12 (1)
Stoich.:	ABC2D4E8F12 (1)
Weight, g/mol:	343.106925
ΔH_f, kcal/mol:	-34.98
Dipole, Da:	2.6
IP(EA), eV:	-9.54(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(9-oxoacridin-10-yl)acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)N2C(=C(C=N2)C#N)N)SC(F)F

DOS

IR

Vibrations