Geometry & MOs

Info

ID:	193016
PubChem CID:	78337460
Reduced:	ON4C19H28 (1)
Stoich.:	AB4C19D28 (1)
Weight, g/mol:	452.07356
ΔH_f, kcal/mol:	1.02
Dipole, Da:	4.39
IP(EA), eV:	-8.93(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(=NNC(=O)C2CC(NN2)C3=CC=CC=C3)CC(C1)(C)C

DOS

IR

Vibrations