Geometry & MOs

Info

ID:	17297
PubChem CID:	491978
Reduced:	NO8C28H33 (1)
Stoich.:	AB8C28D33 (1)
Weight, g/mol:	511.220617
ΔH_f, kcal/mol:	-299.66
Dipole, Da:	6.64
IP(EA), eV:	-8.94(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[bis(4-methoxy-3-methoxycarbonyl-5-methylphenyl)methylidene]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC)C(=O)OC)C(=C2CCN(CC2)C(=O)OC)C3=CC(=C(C(=C3)C)OC)C(=O)OC

DOS

IR

Vibrations