Geometry & MOs

Info

ID:	279877
PubChem CID:	103845500
Reduced:	NOC17H27 (1)
Stoich.:	ABC17D27 (1)
Weight, g/mol:	313.10413
ΔH_f, kcal/mol:	-59.54
Dipole, Da:	3.35
IP(EA), eV:	-8.87(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2-bromo-4-methylphenyl)methylamino]methyl]-2-ethylbutan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNCC1=CC2=C(CCC2)C=C1)CO

DOS

IR

Vibrations