Geometry & MOs

Info

ID:	144612
PubChem CID:	53388074
Reduced:	NH13C15 (1)
Stoich.:	AB13C15 (1)
Weight, g/mol:	273.115364
ΔH_f, kcal/mol:	121.45
Dipole, Da:	2.15
IP(EA), eV:	-8.71(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-phenoxyprop-1-ynyl)phenyl]pyrrole

Drug info:

PubChemData

Smile

C1CC1C#CC2=CC=CC=C2N3C=CC=C3

DOS

IR

Vibrations