Geometry & MOs

Info

ID:	59545
PubChem CID:	24875278
Reduced:	O2N5H21C27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	410.154289
ΔH_f, kcal/mol:	82.02
Dipole, Da:	3.38
IP(EA), eV:	-9.83(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-3-(4-methoxyphenyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations