Geometry & MOs

Info

ID:	193231
PubChem CID:	78360077
Reduced:	ClNO6C22H26 (1)
Stoich.:	ABC6D22E26 (1)
Weight, g/mol:	477.11509
ΔH_f, kcal/mol:	-208.36
Dipole, Da:	2.81
IP(EA), eV:	-8.29(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-2-(2-methoxyethyl)-1-(3-propoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

COCCN1C(C2=C(C1=O)OC3CCC(CC3C2=O)Cl)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations