Geometry & MOs

Info

ID:	270543
PubChem CID:	103637078
Reduced:	BrNO2C17H20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	339.02925
ΔH_f, kcal/mol:	-47.39
Dipole, Da:	6.2
IP(EA), eV:	-8.59(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]phenol

Drug info:

PubChemData

Smile

CCOCC1=CC=CC=C1CNCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations