Geometry & MOs

Info

ID:	282344
PubChem CID:	103922842
Reduced:	ClO2N3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	339.00255
ΔH_f, kcal/mol:	-17.33
Dipole, Da:	3.98
IP(EA), eV:	-8.98(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(3-bromo-4-chlorophenyl)methylamino]-2-phenylethanol

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCNCC2=C(C(=CC=C2)Cl)O

DOS

IR

Vibrations