Geometry & MOs

Info

ID:	170117
PubChem CID:	75198281
Reduced:	SN2O3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	327.127072
ΔH_f, kcal/mol:	-71.26
Dipole, Da:	5.08
IP(EA), eV:	-8.96(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(=O)C=CC2=CC=C(C=C2)OCC3=CSC(=N3)C

DOS

IR

Vibrations