Geometry & MOs

Info

ID:	344223
PubChem CID:	127267399
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	248.116092
ΔH_f, kcal/mol:	-90.65
Dipole, Da:	4.21
IP(EA), eV:	-9.38(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,3R)-2-(6-methoxypyridin-3-yl)oxolan-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

COCC1(C2=CC=CC=C2CCO1)CNC(=O)C=C

DOS

IR

Vibrations