Geometry & MOs

Info

ID:	404673
PubChem CID:	135069154
Reduced:	OH16C19 (1)
Stoich.:	AB16C19 (1)
Weight, g/mol:	319.141973
ΔH_f, kcal/mol:	42.0
Dipole, Da:	2.78
IP(EA), eV:	-8.59(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 3-(4-methylphenyl)-2-oxa-3-azabicyclo[2.2.2]octane-5,5-dicarboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C3C(=CC4=CC=CC=C43)CC2

DOS

IR

Vibrations