Geometry & MOs

Info

ID:	280420
PubChem CID:	103849180
Reduced:	NO4C8H15 (1)
Stoich.:	AB4C8D15 (1)
Weight, g/mol:	272.116092
ΔH_f, kcal/mol:	-193.34
Dipole, Da:	3.37
IP(EA), eV:	-9.8(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-cyanophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC(=O)NCC1(CCOC1)O

DOS

IR

Vibrations