Geometry & MOs

Info

ID:	270619
PubChem CID:	103637333
Reduced:	BrClNOSH11C12 (1)
Stoich.:	ABCDEF11G12 (1)
Weight, g/mol:	398.96564
ΔH_f, kcal/mol:	8.43
Dipole, Da:	3.43
IP(EA), eV:	-9.23(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[2-(4-bromophenyl)propan-2-ylamino]methyl]phenol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)CNCC2=CC=C(S2)Cl)O

DOS

IR

Vibrations