Geometry & MOs

Info

ID:	180810
PubChem CID:	76689529
Reduced:	NYO3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	38.4
Dipole, Da:	5.28
IP(EA), eV:	-5.79(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-hydroxyimino-2-methyl-6,7-dihydro-5H-indol-1-yl)acetate

Drug info:

PubChemData

Smile

[CH2-]C1C(C2=CC=CC=C2OC3=CC=CC=C13)C[N+](=O)[O-].[Y]

DOS

IR

Vibrations