Geometry & MOs

Info

ID:	399256
PubChem CID:	135039190
Reduced:	NOH6C7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	230.178299
ΔH_f, kcal/mol:	2.18
Dipole, Da:	3.02
IP(EA), eV:	-8.56(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-octylpyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(NC2=O)C3=CC=CC=C3

DOS

IR

Vibrations