Geometry & MOs

Info

ID:	389000
PubChem CID:	134990857
Reduced:	NO4C22H27 (1)
Stoich.:	AB4C22D27 (1)
Weight, g/mol:	345.132906
ΔH_f, kcal/mol:	-108.04
Dipole, Da:	6.18
IP(EA), eV:	-8.12(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-fluorophenyl)-(4-fluorophenyl)-phenylmethyl]pyrrole

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CC2=NC(CC3=CC(=C(C=C32)OC)OC)C)OC

DOS

IR

Vibrations