Geometry & MOs

Info

ID:	303105
PubChem CID:	124489214
Reduced:	BrC12H17 (1)
Stoich.:	AB12C17 (1)
Weight, g/mol:	240.05136
ΔH_f, kcal/mol:	-12.34
Dipole, Da:	2.8
IP(EA), eV:	-9.22(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-1-bromopropyl]-4-propan-2-ylbenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations