Geometry & MOs

Info

ID:	11025
PubChem CID:	110096
Reduced:	ClN2C27H32 (1)
Stoich.:	AB2C27D32 (1)
Weight, g/mol:	419.225402
ΔH_f, kcal/mol:	48.04
Dipole, Da:	3.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.517552
Charge, e:	1

Chem-info

IUPAC name:

[4-[(2-chlorophenyl)-[4-(diethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3Cl

DOS

IR

Vibrations