Geometry & MOs

Info

ID:	284576
PubChem CID:	104053850
Reduced:	OSN3C9H15 (1)
Stoich.:	ABC3D9E15 (1)
Weight, g/mol:	389.95891
ΔH_f, kcal/mol:	-22.61
Dipole, Da:	2.76
IP(EA), eV:	-8.81(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(CN1C)(C2=CN=C(S2)N)O

DOS

IR

Vibrations