Geometry & MOs

Info

ID:	403146
PubChem CID:	135058961
Reduced:	NOI2F7H8C16 (1)
Stoich.:	ABC2D7E8F16 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-307.84
Dipole, Da:	8.6
IP(EA), eV:	-9.87(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 1-methylpyrrolo[2,3-b]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)I)CC(=O)NC2=C(C(=C(C(=C2F)F)C(F)(F)F)F)F)I

DOS

IR

Vibrations