Geometry & MOs

Info

ID:	81504
PubChem CID:	49854799
Reduced:	BrClON2C17H18 (1)
Stoich.:	ABCD2E17F18 (1)
Weight, g/mol:	347.103669
ΔH_f, kcal/mol:	-29.12
Dipole, Da:	2.24
IP(EA), eV:	-8.32(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations