Geometry & MOs

Info

ID:	29485
PubChem CID:	834213
Reduced:	BrNOSC13H14 (1)
Stoich.:	ABCDE13F14 (1)
Weight, g/mol:	269.04153
ΔH_f, kcal/mol:	15.85
Dipole, Da:	3.79
IP(EA), eV:	-8.96(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)CNCC2=CC=CS2

DOS

IR

Vibrations