Geometry & MOs

Info

ID:	81216
PubChem CID:	49854473
Reduced:	ON2F3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	300.102941
ΔH_f, kcal/mol:	-158.59
Dipole, Da:	3.59
IP(EA), eV:	-8.2(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CC2C3=C(C=C(C=C3)C(F)(F)F)NC2=O

DOS

IR

Vibrations