Geometry & MOs

Info

ID:	317313
PubChem CID:	126635563
Reduced:	O2F3N5C21H24 (1)
Stoich.:	A2B3C5D21E24 (1)
Weight, g/mol:	335.99166
ΔH_f, kcal/mol:	-177.81
Dipole, Da:	4.9
IP(EA), eV:	-8.84(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(bromomethyl)-4-(4-chlorophenyl)phenyl]propan-1-one

Drug info:

PubChemData

Smile

CCCN1C(=O)C=C(N=C1N(CC2=CNC3=CC=CC=C32)C(F)(F)F)N4CCOCC4

DOS

IR

Vibrations