Geometry & MOs

Info

ID:	303102
PubChem CID:	124489210
Reduced:	BrC13H17 (1)
Stoich.:	AB13C17 (1)
Weight, g/mol:	252.05136
ΔH_f, kcal/mol:	3.49
Dipole, Da:	2.44
IP(EA), eV:	-9.23(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(S)-bromo(cyclobutyl)methyl]-4-ethylbenzene

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@@H](C2CCC2)Br

DOS

IR

Vibrations