Geometry & MOs

Info

ID:	282749
PubChem CID:	103938017
Reduced:	Br2N2O2C15H16 (1)
Stoich.:	A2B2C2D15E16 (1)
Weight, g/mol:	222.173213
ΔH_f, kcal/mol:	-16.79
Dipole, Da:	3.2
IP(EA), eV:	-9.13(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[5-(3-methylbutan-2-yloxy)pyridin-2-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC[C@H](C1=NC=C(C=C1)OC2=C(C=C(C(=C2)Br)OC)Br)N

DOS

IR

Vibrations