Geometry & MOs

Info

ID:	13741
PubChem CID:	397464
Reduced:	NO5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	343.141973
ΔH_f, kcal/mol:	-147.05
Dipole, Da:	3.81
IP(EA), eV:	-8.29(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3,4-dimethoxyphenyl)ethyl]-11-oxa-4-azatricyclo[6.2.1.01,6]undec-9-ene-3,5-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCN2C(=O)CC34C=CC(O3)CC4C2=O)OC

DOS

IR

Vibrations