Geometry & MOs

Info

ID:	41132
PubChem CID:	8145329
Reduced:	OSN5C22H27 (1)
Stoich.:	ABC5D22E27 (1)
Weight, g/mol:	316.097368
ΔH_f, kcal/mol:	67.04
Dipole, Da:	5.9
IP(EA), eV:	-8.36(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[(1,2-dihydroacenaphthylen-5-ylamino)methylidene]-4-oxocyclohexa-1,5-diene-1-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)CN3C(=S)N=C(N3)C4=CC=C(C=C4)C

DOS

IR

Vibrations