Geometry & MOs

Info

ID:	403790
PubChem CID:	135061918
Reduced:	NOC15H23 (1)
Stoich.:	ABC15D23 (1)
Weight, g/mol:	351.134969
ΔH_f, kcal/mol:	-44.23
Dipole, Da:	1.06
IP(EA), eV:	-8.92(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-chloro-3-(diethylcarbamoyl)pyrrolo[2,3-b]pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1C(C)CCC=C(C)C)OC

DOS

IR

Vibrations