Geometry & MOs

Info

ID:	202668
PubChem CID:	79707973
Reduced:	OCl2N2C15H22 (1)
Stoich.:	AB2C2D15E22 (1)
Weight, g/mol:	331.09471
ΔH_f, kcal/mol:	-55.05
Dipole, Da:	6.0
IP(EA), eV:	-8.69(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromo-5-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine

Drug info:

PubChemData

Smile

CCN(CC1CCNCC1)CC2=C(C(=CC(=C2)Cl)Cl)O

DOS

IR

Vibrations