Geometry & MOs

Info

ID:	303086
PubChem CID:	124489191
Reduced:	BrClH10C13 (1)
Stoich.:	ABC10D13 (1)
Weight, g/mol:	230.086228
ΔH_f, kcal/mol:	37.0
Dipole, Da:	2.19
IP(EA), eV:	-9.65(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(R)-chloro(phenyl)methyl]-3,5-dimethylbenzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](C2=CC=CC=C2Br)Cl

DOS

IR

Vibrations