Geometry & MOs

Info

ID:	58956
PubChem CID:	24724103
Reduced:	BrFOH8C10 (1)
Stoich.:	ABCD8E10 (1)
Weight, g/mol:	315.08262
ΔH_f, kcal/mol:	-38.69
Dipole, Da:	2.12
IP(EA), eV:	-10.15(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-fluorophenyl)-[4-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone

Drug info:

PubChemData

Smile

C1CC1C(=O)C2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations