Geometry & MOs

Info

ID:	193244
PubChem CID:	78362962
Reduced:	BrN2O5C26H27 (1)
Stoich.:	AB2C5D26E27 (1)
Weight, g/mol:	432.204907
ΔH_f, kcal/mol:	-137.79
Dipole, Da:	3.47
IP(EA), eV:	-8.73(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC2C(CC1C)OC3=C(C2=O)C(N(C3=O)C4=NC=C(C=C4)C)C5=CC(=C(C(=C5)Br)O)OC

DOS

IR

Vibrations