Geometry & MOs

Info

ID:	10083
PubChem CID:	96931
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-88.65
Dipole, Da:	3.47
IP(EA), eV:	-8.88(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C=CC1=CC2=C(C=C1)OCO2

DOS

IR

Vibrations