Geometry & MOs

Info

ID:	320532
PubChem CID:	126661609
Reduced:	SN3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	288.137497
ΔH_f, kcal/mol:	82.29
Dipole, Da:	4.07
IP(EA), eV:	-8.37(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-3-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yliminomethyl)buta-1,3-dien-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CS/C(=C\N)/C2=C3C=CNC3=NC=C2

DOS

IR

Vibrations