Geometry & MOs

Info

ID:	224426
PubChem CID:	85342768
Reduced:	O3C29H44 (1)
Stoich.:	A3B29C44 (1)
Weight, g/mol:	440.098643
ΔH_f, kcal/mol:	-181.71
Dipole, Da:	4.71
IP(EA), eV:	-9.15(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetramethyl 2-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane-1,3,3,5-tetracarboxylate

Drug info:

PubChemData

Smile

CC(C)C(=O)C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C

DOS

IR

Vibrations