Geometry & MOs

Info

ID:	81309
PubChem CID:	49854584
Reduced:	ON2F3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	328.134241
ΔH_f, kcal/mol:	-168.88
Dipole, Da:	0.95
IP(EA), eV:	-8.08(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-[3-[4-(dimethylamino)phenyl]propyl]-1,3-dihydroindol-2-one

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CCCC2C3=C(C=C(C=C3)C(F)(F)F)NC2=O

DOS

IR

Vibrations