Geometry & MOs

Info

ID:	148515
PubChem CID:	53788178
Reduced:	ON4C25H32 (1)
Stoich.:	AB4C25D32 (1)
Weight, g/mol:	178.037842
ΔH_f, kcal/mol:	-1.84
Dipole, Da:	2.06
IP(EA), eV:	-8.45(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-nitro-2H-isoindol-1-ol

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2CCC(CC2)N3CCC(CC3)N4C5=CC=CC=C5NC4=O

DOS

IR

Vibrations