Geometry & MOs

Info

ID:	128896
PubChem CID:	51062600
Reduced:	O2N3C13H25 (1)
Stoich.:	A2B3C13D25 (1)
Weight, g/mol:	382.155552
ΔH_f, kcal/mol:	-106.49
Dipole, Da:	2.08
IP(EA), eV:	-8.74(0.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2,3-bis(4-methoxyphenyl)benzo[e]benzotriazol-3-ium

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)CC2CCCCN2

DOS

IR

Vibrations