Geometry & MOs

Info

ID:	59520
PubChem CID:	24875237
Reduced:	F3O3N4H21C27 (1)
Stoich.:	A3B3C4D21E27 (1)
Weight, g/mol:	392.163711
ΔH_f, kcal/mol:	-128.93
Dipole, Da:	6.33
IP(EA), eV:	-9.57(-0.84)
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

Drug info:

PubChemData

Smile

COC1=CN=CC(=C1)C2=CC(=CC=C2)C3(C4=CC=CC=C4C(=N3)N)C5=CC=NC=C5.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations