Geometry & MOs

Info

ID:	194454
PubChem CID:	78539253
Reduced:	NO3C10H10 (2)
Stoich.:	AB3C10D10 (2)
Weight, g/mol:	384.132136
ΔH_f, kcal/mol:	-126.88
Dipole, Da:	9.09
IP(EA), eV:	-9.61(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations