Geometry & MOs

Info

ID:	193125
PubChem CID:	78347246
Reduced:	NO5C26H27 (1)
Stoich.:	AB5C26D27 (1)
Weight, g/mol:	512.09468
ΔH_f, kcal/mol:	-137.21
Dipole, Da:	3.31
IP(EA), eV:	-8.84(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-methyl-2-(4-methylpyridin-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C(C3=C(C2=O)OC4CCCCC4C3=O)C5=CC(=CC=C5)OC

DOS

IR

Vibrations