Geometry & MOs

Info

ID:	29970
PubChem CID:	838646
Reduced:	NO2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	295.120843
ΔH_f, kcal/mol:	-144.13
Dipole, Da:	5.19
IP(EA), eV:	-8.47(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2OC)OCO3

DOS

IR

Vibrations