Geometry & MOs

Info

ID:	176060
PubChem CID:	75989799
Reduced:	BrNO2H20C21 (1)
Stoich.:	ABC2D20E21 (1)
Weight, g/mol:	364.142307
ΔH_f, kcal/mol:	-49.11
Dipole, Da:	1.28
IP(EA), eV:	-9.16(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-nitrophenyl)methyl]-3-(3-oxocyclohexyl)-1H-indol-2-one

Drug info:

PubChemData

Smile

C1CC(CC(=O)C1)C2(C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations