Geometry & MOs

Info

ID:	375592
PubChem CID:	134214039
Reduced:	NOCl2C8H9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	443.122354
ΔH_f, kcal/mol:	-37.82
Dipole, Da:	3.45
IP(EA), eV:	-9.79(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[5-chloro-6-[1-[hydroxy-[4-(trifluoromethyl)anilino]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridin-3-yl]ethane-1,2-diol

Drug info:

PubChemData

Smile

C[C@@H](CO)C1=CC(=C(N=C1)Cl)Cl

DOS

IR

Vibrations