Geometry & MOs

Info

ID:	323548
PubChem CID:	126675394
Reduced:	BrNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	309.172879
ΔH_f, kcal/mol:	-27.16
Dipole, Da:	3.72
IP(EA), eV:	-9.39(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[[(2S)-2-aminocyclopentyl]oxymethyl]phenyl]phenyl]ethanone

Drug info:

PubChemData

Smile

C1C[C@@H](C(C1)OCC2=CC=C(C=C2)Br)N

DOS

IR

Vibrations