Geometry & MOs

Info

ID:	50241
PubChem CID:	12012756
Reduced:	NO3C7H8 (2)
Stoich.:	AB3C7D8 (2)
Weight, g/mol:	278.090272
ΔH_f, kcal/mol:	-154.8
Dipole, Da:	11.36
IP(EA), eV:	-9.4(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1-acetyl-7-nitro-2,3-dihydroindol-5-yl)acetate

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C1C(=CC(=C2OC)[N+](=O)[O-])CC(=O)OC

DOS

IR

Vibrations