Geometry & MOs

Info

ID:	303104
PubChem CID:	124489213
Reduced:	BrC14H19 (1)
Stoich.:	AB14C19 (1)
Weight, g/mol:	240.05136
ΔH_f, kcal/mol:	-1.26
Dipole, Da:	2.45
IP(EA), eV:	-9.18(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)[C@H](C2CCC2)Br

DOS

IR

Vibrations