Geometry & MOs

Info

ID:	401157
PubChem CID:	135050359
Reduced:	ON2C18H32 (1)
Stoich.:	AB2C18D32 (1)
Weight, g/mol:	501.199882
ΔH_f, kcal/mol:	-55.75
Dipole, Da:	1.33
IP(EA), eV:	-8.65(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetraethyl 8-methyl-4-oxo-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene-6,6,7,7-tetracarboxylate

Drug info:

PubChemData

Smile

CCCCC(CC1=CC=CC=C1)C(N(C)CCN(C)C)O

DOS

IR

Vibrations