Geometry & MOs

Info

ID:	448270
PubChem CID:	135289798
Reduced:	NF3H4C8 (1)
Stoich.:	AB3C4D8 (1)
Weight, g/mol:	358.10842
ΔH_f, kcal/mol:	-68.0
Dipole, Da:	4.83
IP(EA), eV:	-10.29(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 6-chloro-2-(2-methoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate

Drug info:

PubChemData

Smile

C#CC1=C(N=CC=C1)C(F)(F)F

DOS

IR

Vibrations