Geometry & MOs

Info

ID:	50242
PubChem CID:	12012757
Reduced:	N2O5C13H14 (1)
Stoich.:	A2B5C13D14 (1)
Weight, g/mol:	260.079707
ΔH_f, kcal/mol:	-116.97
Dipole, Da:	6.72
IP(EA), eV:	-9.17(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1-acetyl-7-nitrosoindol-5-yl)acetate

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C1C(=CC(=C2)CC(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations