Geometry & MOs

Info

ID:	235371
PubChem CID:	92309677
Reduced:	Cl2N2O3H18C20 (1)
Stoich.:	A2B2C3D18E20 (1)
Weight, g/mol:	342.149891
ΔH_f, kcal/mol:	-94.72
Dipole, Da:	6.5
IP(EA), eV:	-8.83(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[[2-[[(2S)-oxolan-2-yl]methyl]-1,3-dihydroisoindol-4-yl]methyl]aniline

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN2CC3=C(C2=O)C(=CC=C3)C(=O)NC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations