Geometry & MOs

Info

ID:	59516
PubChem CID:	24875230
Reduced:	N2S2O7H26C29 (1)
Stoich.:	A2B2C7D26E29 (1)
Weight, g/mol:	362.153147
ΔH_f, kcal/mol:	-164.44
Dipole, Da:	3.48
IP(EA), eV:	-8.85(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pyridin-4-yl-3-(3-pyridin-3-ylphenyl)isoindol-1-amine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=CC(=CC=C2)C3(C4=CC=CC=C4C(=N3)N)C5=CC=C(C=C5)OS(=O)(=O)C)OS(=O)(=O)C

DOS

IR

Vibrations