Geometry & MOs

Info

ID:	396504
PubChem CID:	135028597
Reduced:	NO9C21H35 (1)
Stoich.:	AB9C21D35 (1)
Weight, g/mol:	332.152478
ΔH_f, kcal/mol:	-357.0
Dipole, Da:	0.74
IP(EA), eV:	-10.22(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](C1=O)C(=O)OC)CC(OCC)OCC)[N+](=O)[O-])CCCC(=O)OC

DOS

IR

Vibrations