Geometry & MOs

Info

ID:	282748
PubChem CID:	103937993
Reduced:	ON2C16H26 (1)
Stoich.:	AB2C16D26 (1)
Weight, g/mol:	415.9558
ΔH_f, kcal/mol:	-50.41
Dipole, Da:	4.06
IP(EA), eV:	-8.92(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[5-(2,5-dibromo-4-methoxyphenoxy)pyridin-2-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC[C@H](C1=NC=C(C=C1)OC2CCC(C(C2)C)C)N

DOS

IR

Vibrations