Geometry & MOs

Info

ID:	190700
PubChem CID:	78044079
Reduced:	O5H15C17 (2)
Stoich.:	A5B15C17 (2)
Weight, g/mol:	251.126991
ΔH_f, kcal/mol:	-323.38
Dipole, Da:	0.56
IP(EA), eV:	-10.13(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-cyanoazetidin-1-yl)-2-oxoethyl]oxane-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OC(CO)C(C(C(CO)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations