Geometry & MOs

Info

ID:	59518
PubChem CID:	24875235
Reduced:	O2F3N5H18C25 (1)
Stoich.:	A2B3C5D18E25 (1)
Weight, g/mol:	363.148396
ΔH_f, kcal/mol:	-74.5
Dipole, Da:	8.99
IP(EA), eV:	-9.5(-0.88)
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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations