Geometry & MOs

Info

ID:	394965
PubChem CID:	135024297
Reduced:	NO4C10H13 (1)
Stoich.:	AB4C10D13 (1)
Weight, g/mol:	189.115364
ΔH_f, kcal/mol:	-92.61
Dipole, Da:	3.69
IP(EA), eV:	-9.14(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-ethyl-1,3-dimethylindol-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CCC(C[N+](=O)[O-])O)O

DOS

IR

Vibrations