Geometry & MOs

Info

ID:	263148
PubChem CID:	103341909
Reduced:	N4H14C15 (1)
Stoich.:	A4B14C15 (1)
Weight, g/mol:	177.058992
ΔH_f, kcal/mol:	86.5
Dipole, Da:	1.54
IP(EA), eV:	-8.8(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-2-(1H-pyrrol-2-yl)phenol

Drug info:

PubChemData

Smile

CNC1=NC(=NC(=C1)C2=CC=CN2)C3=CC=CC=C3

DOS

IR

Vibrations