Geometry & MOs

Info

ID:	59517
PubChem CID:	24875234
Reduced:	N2H9C12 (2)
Stoich.:	A2B9C12 (2)
Weight, g/mol:	477.141259
ΔH_f, kcal/mol:	149.28
Dipole, Da:	5.62
IP(EA), eV:	-9.38(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NC2(C3=CC=NC=C3)C4=CC=CC(=C4)C5=CN=CC=C5)N

DOS

IR

Vibrations