Geometry & MOs

Info

ID:	411259
PubChem CID:	135084072
Reduced:	FNO2C8H10 (1)
Stoich.:	ABC2D8E10 (1)
Weight, g/mol:	180.045426
ΔH_f, kcal/mol:	-126.9
Dipole, Da:	2.26
IP(EA), eV:	-10.32(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-ethyl-1H-pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C(=O)/C=C/CF

DOS

IR

Vibrations