Geometry & MOs

Info

ID:	447364
PubChem CID:	135282285
Reduced:	Cl2N3O4C30H31 (1)
Stoich.:	A2B3C4D30E31 (1)
Weight, g/mol:	317.190341
ΔH_f, kcal/mol:	-125.09
Dipole, Da:	7.69
IP(EA), eV:	-9.51(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[6-(2-fluoropyridin-4-yl)-4-methylpyridin-3-yl]oxy-2,4-dimethylpentan-2-amine

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)C(C)(C2=CC3=C(C=C2)[C@@](N(C3=O)CC4=NC=C(C=C4)Cl)(C5=CC=C(C=C5)Cl)OC)O

DOS

IR

Vibrations