Geometry & MOs

Info

ID:	186731
PubChem CID:	77474395
Reduced:	O3N4C21H36 (1)
Stoich.:	A3B4C21D36 (1)
Weight, g/mol:	359.125689
ΔH_f, kcal/mol:	-161.1
Dipole, Da:	8.61
IP(EA), eV:	-8.73(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-fluoro-6-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-yl]methylamino]butane-1,3-diol

Drug info:

PubChemData

Smile

CCN(C(=O)C1CC2CC(=O)CCC2N(C1)C)C(=O)NCCN3CCCCC3

DOS

IR

Vibrations