Geometry & MOs

Info

ID:	304056
PubChem CID:	124491810
Reduced:	BrSC10H13 (1)
Stoich.:	ABC10D13 (1)
Weight, g/mol:	228.01498
ΔH_f, kcal/mol:	8.31
Dipole, Da:	1.59
IP(EA), eV:	-8.74(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-[(1R)-1-methoxypropyl]benzene

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=C(C=C1)Br)SC

DOS

IR

Vibrations