Geometry & MOs

Info

ID:	404654
PubChem CID:	135068685
Reduced:	O4H20C23 (1)
Stoich.:	A4B20C23 (1)
Weight, g/mol:	347.136887
ΔH_f, kcal/mol:	-84.73
Dipole, Da:	3.67
IP(EA), eV:	-9.0(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 3-[(4-methoxyphenyl)methyl]-2-oxa-3-azabicyclo[2.2.2]oct-7-ene-5,5-dicarboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=CC2=CC=CC=C21)C(=O)OC)OC/C=C/C3=CC=CC=C3

DOS

IR

Vibrations