Geometry & MOs

Info

ID:	59495
PubChem CID:	24875133
Reduced:	FN3O4H28C29 (1)
Stoich.:	AB3C4D28E29 (1)
Weight, g/mol:	435.158292
ΔH_f, kcal/mol:	-140.9
Dipole, Da:	4.64
IP(EA), eV:	-8.75(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-3-[3-(5-methoxypyridin-3-yl)phenyl]isoindol-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)NCC2=COC(=C2)C3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4=C(C=C(C=C4C)F)C

DOS

IR

Vibrations