Geometry & MOs

Info

ID:	403209
PubChem CID:	135059187
Reduced:	BN2S3C34H41 (1)
Stoich.:	AB2C3D34E41 (1)
Weight, g/mol:	229.042018
ΔH_f, kcal/mol:	68.97
Dipole, Da:	12.31
IP(EA), eV:	-6.82(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2Z)-2-(chloromethylidene)-3-methylbenzo[g][1]benzofuran-1-ium

Drug info:

PubChemData

Smile

[B-](C1=[N+](C=CN1C2=C(C=CC=C2C(C)C)C(C)C)C3=C(C=CC=C3C(C)C)C(C)C)SC(=S)SC4=CC=CC=C4

DOS

IR

Vibrations