Geometry & MOs

Info

ID:	193229
PubChem CID:	78359401
Reduced:	FN2O6C29H37 (1)
Stoich.:	AB2C6D29E37 (1)
Weight, g/mol:	472.23735
ΔH_f, kcal/mol:	-238.8
Dipole, Da:	1.35
IP(EA), eV:	-8.32(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(dimethylamino)ethyl]-1-(3-ethoxy-4-prop-2-enoxyphenyl)-7-fluoro-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C2C3=C(C(=O)N2CCCN4CCOCC4)OC5CCC(CC5C3=O)F)OCC=C

DOS

IR

Vibrations