Geometry & MOs

Info

ID:	447753
PubChem CID:	135285332
Reduced:	SO2N4H24C26 (1)
Stoich.:	AB2C4D24E26 (1)
Weight, g/mol:	351.173548
ΔH_f, kcal/mol:	25.16
Dipole, Da:	2.48
IP(EA), eV:	-8.61(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-pyridin-3-yl-1,3-dihydroisoindol-2-yl)ethyl]quinoline

Drug info:

PubChemData

Smile

C=CC(=O)N1CCCC(C1)N2C3=C(C=NC=C3)N(C2=O)C4=CC=C(C=C4)SC5=CC=CC=C5

DOS

IR

Vibrations