Geometry & MOs

Info

ID:	437321
PubChem CID:	135223440
Reduced:	O4C11H12 (1)
Stoich.:	A4B11C12 (1)
Weight, g/mol:	277.111422
ΔH_f, kcal/mol:	-152.26
Dipole, Da:	7.22
IP(EA), eV:	-9.82(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1-butyl-5-fluoroindol-3-yl)-2-oxoacetate

Drug info:

PubChemData

Smile

COC1=C(C=CC2=C1CCC2O)C(=O)O

DOS

IR

Vibrations