Geometry & MOs

Info

ID:	59519
PubChem CID:	24875236
Reduced:	N5H17C23 (1)
Stoich.:	A5B17C23 (1)
Weight, g/mol:	506.156575
ΔH_f, kcal/mol:	160.74
Dipole, Da:	3.15
IP(EA), eV:	-9.56(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(5-methoxypyridin-3-yl)phenyl]-3-pyridin-4-ylisoindol-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=CN=C5)N

DOS

IR

Vibrations