Geometry & MOs

Info

ID:	372129
PubChem CID:	131293521
Reduced:	BrNOF3C9H9 (1)
Stoich.:	ABCD3E9F9 (1)
Weight, g/mol:	374.81587
ΔH_f, kcal/mol:	-185.53
Dipole, Da:	4.11
IP(EA), eV:	-9.6(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(bromomethyl)-4-chloro-3-iodo-2-nitrobenzene

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC(=C1O)Br)C(F)(F)F)N

DOS

IR

Vibrations