Geometry & MOs

Info

ID:	29613
PubChem CID:	835796
Reduced:	ON2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	336.035791
ΔH_f, kcal/mol:	-4.2
Dipole, Da:	4.76
IP(EA), eV:	-9.1(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-2-[3-(trifluoromethyl)phenyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1)C(=O)NC2=NC=CC(=C2)C

DOS

IR

Vibrations