Geometry & MOs

Info

ID:	447366
PubChem CID:	135282300
Reduced:	BrClFNO3C14H18 (1)
Stoich.:	ABCDE3F14G18 (1)
Weight, g/mol:	333.16079
ΔH_f, kcal/mol:	-183.2
Dipole, Da:	4.21
IP(EA), eV:	-9.34(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-[5-(2-chloropyridin-4-yl)-3-methylpyridin-2-yl]oxy-2,4-dimethylpentan-2-amine

Drug info:

PubChemData

Smile

C[C@@H](CC(C)(C)NC(=O)O)COC1=C(C=C(C=C1Cl)Br)F

DOS

IR

Vibrations