Geometry & MOs

Info

ID:	59481
PubChem CID:	24875040
Reduced:	F3N3O3H24C29 (1)
Stoich.:	A3B3C3D24E29 (1)
Weight, g/mol:	520.172225
ΔH_f, kcal/mol:	-150.37
Dipole, Da:	6.09
IP(EA), eV:	-9.12(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxy-3-methylphenyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2(C3=CC=CC=C3C(=N2)N)C4=CC=CC(=C4)C5=CN=CC=C5)OC.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations