Geometry & MOs

Info

ID:	5016
PubChem CID:	12449
Reduced:	SN2O4C27H34 (1)
Stoich.:	AB2C4D27E34 (1)
Weight, g/mol:	482.223929
ΔH_f, kcal/mol:	-93.42
Dipole, Da:	15.84
IP(EA), eV:	-8.35(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[4-(diethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium;hydrogen sulfate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3.OS(=O)(=O)[O-]

DOS

IR

Vibrations