Geometry & MOs

Info

ID:	270621
PubChem CID:	103637341
Reduced:	BrClNOSC13H13 (1)
Stoich.:	ABCDEF13G13 (1)
Weight, g/mol:	301.06774
ΔH_f, kcal/mol:	1.67
Dipole, Da:	3.01
IP(EA), eV:	-9.02(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[2-(2-methylpropoxy)ethylamino]methyl]phenol

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Br)O)CNCCC2=CC=C(S2)Cl

DOS

IR

Vibrations