Geometry & MOs

Info

ID:	282750
PubChem CID:	103938024
Reduced:	ON2C13H22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	324.02735
ΔH_f, kcal/mol:	-44.52
Dipole, Da:	3.83
IP(EA), eV:	-8.96(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-(3-bromo-5-fluorophenoxy)pyridin-2-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC[C@H](C1=NC=C(C=C1)OC(C)C(C)C)N

DOS

IR

Vibrations