Geometry & MOs

Info

ID:	284582
PubChem CID:	104053957
Reduced:	ON2C15H18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	370.01353
ΔH_f, kcal/mol:	-7.78
Dipole, Da:	3.29
IP(EA), eV:	-8.55(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)C)CC2=CC(=NC=C2)N

DOS

IR

Vibrations