Geometry & MOs

Info

ID:	447325
PubChem CID:	135282030
Reduced:	FO3N4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	331.205991
ΔH_f, kcal/mol:	-141.23
Dipole, Da:	11.02
IP(EA), eV:	-9.4(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-[2-(fluoromethyl)-6-(2-methylpyridin-4-yl)pyridin-3-yl]oxy-2,4-dimethylpentan-2-amine

Drug info:

PubChemData

Smile

CC(C)CC(C)(COC1=C(N=C(C=C1)C2=CC(=NC=C2)NC(=O)O)CF)N

DOS

IR

Vibrations