Geometry & MOs

Info

ID:	320801
PubChem CID:	126663539
Reduced:	NOC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	170.084398
ΔH_f, kcal/mol:	-18.48
Dipole, Da:	3.57
IP(EA), eV:	-8.93(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-buta-1,3-dien-2-yl-1H-pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CC1C(C=CC2=CC=CC=C12)C(=O)NC

DOS

IR

Vibrations