Geometry & MOs

Info

ID:	144613
PubChem CID:	53388075
Reduced:	NOH15C19 (1)
Stoich.:	ABC15D19 (1)
Weight, g/mol:	288.089878
ΔH_f, kcal/mol:	97.71
Dipole, Da:	1.39
IP(EA), eV:	-8.92(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(4-nitrophenyl)ethynyl]phenyl]pyrrole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC#CC2=CC=CC=C2N3C=CC=C3

DOS

IR

Vibrations