Geometry & MOs

Info

ID:	303094
PubChem CID:	124489201
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	279.96544
ΔH_f, kcal/mol:	-105.79
Dipole, Da:	2.64
IP(EA), eV:	-9.21(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(S)-bromo(phenyl)methyl]-2-chlorobenzene

Drug info:

PubChemData

Smile

CN(C[C@H]1C2=CC=CC=C2CCO1)CC(=O)O

DOS

IR

Vibrations