Geometry & MOs

Info

ID:	374580
PubChem CID:	131331753
Reduced:	BrClN2C9H10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	305.88255
ΔH_f, kcal/mol:	33.28
Dipole, Da:	3.5
IP(EA), eV:	-9.86(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-1-(chloromethyl)-3-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

C1CC1[C@@H](C2=CN=C(C=C2Cl)Br)N

DOS

IR

Vibrations