Geometry & MOs

Info

ID:	279878
PubChem CID:	103845501
Reduced:	BrNOC15H24 (1)
Stoich.:	ABCD15E24 (1)
Weight, g/mol:	329.09904
ΔH_f, kcal/mol:	-58.08
Dipole, Da:	3.28
IP(EA), eV:	-8.77(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]-2-ethylbutan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNCC1=C(C=C(C=C1)C)Br)CO

DOS

IR

Vibrations