Geometry & MOs

Info

ID:	229671
PubChem CID:	87568382
Reduced:	ON3C33H45 (1)
Stoich.:	AB3C33D45 (1)
Weight, g/mol:	508.122161
ΔH_f, kcal/mol:	13.73
Dipole, Da:	15.49
IP(EA), eV:	-8.33(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCN(CCCCCCCC)C1=CC=C(C=C1)/C=C/C2=CC(=C(C#N)C#N)C=C(O2)C

DOS

IR

Vibrations