Geometry & MOs

Info

ID:	304523
PubChem CID:	124756155
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	392.11207
ΔH_f, kcal/mol:	-33.19
Dipole, Da:	3.79
IP(EA), eV:	-8.81(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4R,7R,7aS)-7-[[(5-nitropyridin-2-yl)amino]methyl]-2-phenyl-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione

Drug info:

PubChemData

Smile

CCC1=NO[C@@H](C1)CNC(=O)CN2CCC3=CC=CC=C3C2

DOS

IR

Vibrations