Geometry & MOs

Info

ID:	230313
PubChem CID:	87570633
Reduced:	O3N5H11C13 (1)
Stoich.:	A3B5C11D13 (1)
Weight, g/mol:	508.122161
ΔH_f, kcal/mol:	8.4
Dipole, Da:	7.0
IP(EA), eV:	-9.07(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=NC(=NC2=NC=C(N=C21)C3=CC=C(O3)C=O)N

DOS

IR

Vibrations