Geometry & MOs

Info

ID:	232210
PubChem CID:	87575717
Reduced:	FO2N4C28H31 (1)
Stoich.:	AB2C4D28E31 (1)
Weight, g/mol:	369.97715
ΔH_f, kcal/mol:	-0.94
Dipole, Da:	5.2
IP(EA), eV:	-7.74(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-1-[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]propan-2-one

Drug info:

PubChemData

Smile

C[C@H]1C2=CNN(C2=CC3=C1[C@H](CC3)CC(C4=CC=CC=C4)NC(=O)N(C)OC)C5=CC=C(C=C5)F

DOS

IR

Vibrations