Geometry & MOs

Info

ID:	159630
PubChem CID:	57288558
Reduced:	P2Cl4O7C10H20 (1)
Stoich.:	A2B4C7D10E20 (1)
Weight, g/mol:	400.142307
ΔH_f, kcal/mol:	-507.4
Dipole, Da:	3.16
IP(EA), eV:	-10.9(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[6-[5-(2-hydroxy-5-methoxyphenyl)-1H-pyridin-2-ylidene]pyridin-3-ylidene]-4-methoxycyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C(CCl)C(C(CCCl)(CCCl)CCCl)OP(=O)(O)OP(=O)(O)O

DOS

IR

Vibrations