Geometry & MOs

Info

ID:	374588
PubChem CID:	131331847
Reduced:	SN3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	347.82137
ΔH_f, kcal/mol:	8.29
Dipole, Da:	7.68
IP(EA), eV:	-8.26(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-(chloromethyl)-5-fluoro-2-iodobenzene

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)C2CCCN(C2)C)CN

DOS

IR

Vibrations