Geometry & MOs

Info

ID:	296673
PubChem CID:	117588078
Reduced:	ON3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	255.02588
ΔH_f, kcal/mol:	-22.57
Dipole, Da:	4.19
IP(EA), eV:	-9.13(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-2-(3-bromophenyl)oxan-4-amine

Drug info:

PubChemData

Smile

C1CC(CNC1)C2=NC(=CC=C2)C(=O)N

DOS

IR

Vibrations