Geometry & MOs

Info

ID:	187016
PubChem CID:	77518731
Reduced:	OSN3H15C19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	338.105528
ΔH_f, kcal/mol:	76.07
Dipole, Da:	5.46
IP(EA), eV:	-8.59(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenoxy)-8-oxo-7,9c-dihydroacenaphthyleno[1,2-b]pyrrole-9-carbonitrile

Drug info:

PubChemData

Smile

C1CSCCN1C2=C3C=CC=C4C3=C(C=C2)C5=C4NC(=O)C5C#N

DOS

IR

Vibrations