Geometry & MOs

Info

ID:	48616
PubChem CID:	11110029
Reduced:	Cl2O2H14C17 (1)
Stoich.:	A2B2C14D17 (1)
Weight, g/mol:	321.184112
ΔH_f, kcal/mol:	-36.05
Dipole, Da:	3.37
IP(EA), eV:	-9.34(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-3-(pyridin-4-ylmethyl)-1H-indene-2-carboxamide

Drug info:

PubChemData

Smile

C1C=C[C@@]([C@H](O1)C2=CC=CC=C2Cl)(C3=CC=CC=C3Cl)O

DOS

IR

Vibrations