Geometry & MOs

Info

ID:	284589
PubChem CID:	104054040
Reduced:	ClSN4C10H13 (1)
Stoich.:	ABC4D10E13 (1)
Weight, g/mol:	405.92936
ΔH_f, kcal/mol:	49.68
Dipole, Da:	4.05
IP(EA), eV:	-9.01(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1Cl)CC2=CN=C(S2)N)C

DOS

IR

Vibrations