Geometry & MOs

Info

ID:	29504
PubChem CID:	834516
Reduced:	BrN2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	273.118735
ΔH_f, kcal/mol:	59.47
Dipole, Da:	1.78
IP(EA), eV:	-9.36(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-[(4-methylsulfanylphenyl)methylamino]-1-phenylethanol

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CNCC2=CC=C(C=C2)Br

DOS

IR

Vibrations