Geometry & MOs

Info

ID:	397565
PubChem CID:	135030396
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	361.053748
ΔH_f, kcal/mol:	-79.48
Dipole, Da:	5.02
IP(EA), eV:	-9.46(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxy-2H-isoindol-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=CC=C1)C(=O)N(CC=C)CC=C

DOS

IR

Vibrations