Geometry & MOs

Info

ID:	402945
PubChem CID:	135057989
Reduced:	INOH6F8C15 (1)
Stoich.:	ABCD6E8F15 (1)
Weight, g/mol:	251.071306
ΔH_f, kcal/mol:	-359.11
Dipole, Da:	7.22
IP(EA), eV:	-9.93(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 6-chloro-1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)I)CC(=O)NC2=C(C(=C(C(=C2F)F)C(F)(F)F)F)F)F

DOS

IR

Vibrations