Geometry & MOs

Info

ID:	401899
PubChem CID:	135053274
Reduced:	ClO2H15C19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	511.13978
ΔH_f, kcal/mol:	-18.42
Dipole, Da:	3.76
IP(EA), eV:	-9.6(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2,6-bis(4-methoxyphenyl)pyran-4-ylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;perchlorate

Drug info:

PubChemData

Smile

CC/C(=C\C1=CC=C(C=C1)Cl)/C2=CC(=O)C3=CC=CC=C3O2

DOS

IR

Vibrations