Geometry & MOs

Info

ID:	284584
PubChem CID:	104053971
Reduced:	SN2C13H24 (1)
Stoich.:	AB2C13D24 (1)
Weight, g/mol:	352.02296
ΔH_f, kcal/mol:	-19.34
Dipole, Da:	2.18
IP(EA), eV:	-8.82(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-[chloro-(2-methylphenyl)methyl]-4-methoxy-2,5-dimethylbenzene

Drug info:

PubChemData

Smile

CCCCCCCCCCC1=CN=C(S1)N

DOS

IR

Vibrations