Geometry & MOs

Info

ID:	17298
PubChem CID:	491980
Reduced:	NCl2O8C26H27 (1)
Stoich.:	AB2C8D26E27 (1)
Weight, g/mol:	551.111372
ΔH_f, kcal/mol:	-294.71
Dipole, Da:	6.79
IP(EA), eV:	-9.3(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[bis(3-chloro-4-methoxy-5-methoxycarbonylphenyl)methylidene]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Cl)C(=C2CCN(CC2)C(=O)OC)C3=CC(=C(C(=C3)Cl)OC)C(=O)OC)C(=O)OC

DOS

IR

Vibrations