Geometry & MOs

Info

ID:	284578
PubChem CID:	104053911
Reduced:	OSN2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	385.98398
ΔH_f, kcal/mol:	-5.88
Dipole, Da:	3.38
IP(EA), eV:	-8.94(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)C(C2=CN=C(S2)N)O

DOS

IR

Vibrations