Geometry & MOs

Info

ID:	81120
PubChem CID:	49854373
Reduced:	NOC12H12 (2)
Stoich.:	ABC12D12 (2)
Weight, g/mol:	311.126991
ΔH_f, kcal/mol:	-6.15
Dipole, Da:	1.92
IP(EA), eV:	-8.26(-0.03)
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

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CC2C3=CC=CC=C3N(C2=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations