Geometry & MOs

Info

ID:	402796
PubChem CID:	135057300
Reduced:	NO2C9H9 (1)
Stoich.:	AB2C9D9 (1)
Weight, g/mol:	271.157229
ΔH_f, kcal/mol:	-4.34
Dipole, Da:	4.25
IP(EA), eV:	-9.32(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 5-methyl-1-prop-2-enylindole-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)/C=C/C1=CC=CC=[N+]1[O-]

DOS

IR

Vibrations