Geometry & MOs

Info

ID:	201832
PubChem CID:	79590794
Reduced:	NC16H33 (1)
Stoich.:	AB16C33 (1)
Weight, g/mol:	427.88013
ΔH_f, kcal/mol:	-55.05
Dipole, Da:	1.93
IP(EA), eV:	-9.38(1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-[bromo-(2-chloro-4-fluorophenyl)methyl]naphthalene

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC=CCCN

DOS

IR

Vibrations