Geometry & MOs

Info

ID:	201849
PubChem CID:	79592701
Reduced:	NCl2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	358.01239
ΔH_f, kcal/mol:	6.51
Dipole, Da:	0.99
IP(EA), eV:	-9.45(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[bromo-(2,4-dimethylphenyl)methyl]-4-chloronaphthalene

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)CC=CCCN)Cl

DOS

IR

Vibrations