Geometry & MOs

Info

ID:	402797
PubChem CID:	135057303
Reduced:	NO2C17H21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	-57.58
Dipole, Da:	4.63
IP(EA), eV:	-8.62(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 7-methyl-1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CN(C2=C1C=C(C=C2)C)CC=C

DOS

IR

Vibrations