Geometry & MOs

Info

ID:	447335
PubChem CID:	135282106
Reduced:	ClON3C18H24 (1)
Stoich.:	ABC3D18E24 (1)
Weight, g/mol:	368.182396
ΔH_f, kcal/mol:	-13.67
Dipole, Da:	3.75
IP(EA), eV:	-8.92(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoro-4-methyl-2-[[3-methyl-5-(2-methylpyrimidin-4-yl)pyridin-2-yl]oxymethyl]pentan-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NC(=NC=C2)Cl)OC[C@@H](C)CC(C)(C)N

DOS

IR

Vibrations