Geometry & MOs

Info

ID:	303801
PubChem CID:	124490195
Reduced:	ClC17H19 (1)
Stoich.:	AB17C19 (1)
Weight, g/mol:	258.117528
ΔH_f, kcal/mol:	13.67
Dipole, Da:	2.58
IP(EA), eV:	-9.44(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-2-[(S)-chloro(phenyl)methyl]benzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations