Geometry & MOs

Info

ID:	31933
PubChem CID:	3724222
Reduced:	N2C30H31 (1)
Stoich.:	A2B30C31 (1)
Weight, g/mol:	296.032957
ΔH_f, kcal/mol:	90.81
Dipole, Da:	4.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.157507
Charge, e:	0

Chem-info

IUPAC name:

10-(1,3-dithiolan-2-ylidene)anthracen-9-one

Drug info:

PubChemData

Smile

C1CCN(CC1)CC[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations