Geometry & MOs

Info

ID:	280439
PubChem CID:	103849284
Reduced:	NSO3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-133.21
Dipole, Da:	6.52
IP(EA), eV:	-8.85(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(3-hydroxyoxolan-3-yl)methyl]-3-(4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)SCC(=O)NCC2(CCOC2)O

DOS

IR

Vibrations