Geometry & MOs

Info

ID:	291731
PubChem CID:	113460896
Reduced:	BrON2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	343.9779
ΔH_f, kcal/mol:	-48.32
Dipole, Da:	3.83
IP(EA), eV:	-9.37(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-bromo-5-methylphenyl)-chloromethyl]-2,5-difluoro-4-methylbenzene

Drug info:

PubChemData

Smile

CCC(CC)(CN)NC(=O)C1=CC(=CC(=C1)C)Br

DOS

IR

Vibrations