Geometry & MOs

Info

ID:	222010
PubChem CID:	85293345
Reduced:	BrNO3C24H26 (1)
Stoich.:	ABC3D24E26 (1)
Weight, g/mol:	456.241293
ΔH_f, kcal/mol:	-81.73
Dipole, Da:	4.39
IP(EA), eV:	-9.51(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-2-phenyl-6-(1-phenylethyl)-3a,4,5,8,9,9b-hexahydropyrrolo[3,4-f]quinoline-1,3,7-trione

Drug info:

PubChemData

Smile

COC(=O)C=CC1=CC(=CC=C1)N(CC2=CC=CC=C2Br)C(=O)C3CCCCC3

DOS

IR

Vibrations