Geometry & MOs

Info

ID:	205611
PubChem CID:	80126275
Reduced:	BrOF2N2H11C14 (1)
Stoich.:	ABC2D2E11F14 (1)
Weight, g/mol:	324.03252
ΔH_f, kcal/mol:	-90.05
Dipole, Da:	2.7
IP(EA), eV:	-8.62(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-bromo-2-(4-ethylphenyl)ethyl]-2,3-difluorobenzene

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C=C(C=C2F)Br)F)N

DOS

IR

Vibrations