Geometry & MOs

Info

ID:	54948
PubChem CID:	17389578
Reduced:	NCl2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	273.128427
ΔH_f, kcal/mol:	-81.09
Dipole, Da:	1.56
IP(EA), eV:	-9.33(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole;hydrochloride

Drug info:

PubChemData

Smile

COC(=O)[C@H]1CCNC1C2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations