Geometry & MOs

Info

ID:	81503
PubChem CID:	49854798
Reduced:	ClN2O3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	380.0291
ΔH_f, kcal/mol:	-115.58
Dipole, Da:	2.76
IP(EA), eV:	-8.04(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-[[4-(dimethylamino)phenyl]methyl]-1,3-dihydroindol-2-one;hydrochloride

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CC2C3=C(C=CC(=C3)C(=O)OC)NC2=O.Cl

DOS

IR

Vibrations