Geometry & MOs

Info

ID:	60661
PubChem CID:	26697362
Reduced:	ClFON3C18H19 (1)
Stoich.:	ABCD3E18F19 (1)
Weight, g/mol:	273.136493
ΔH_f, kcal/mol:	-34.87
Dipole, Da:	3.18
IP(EA), eV:	-9.26(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-cyclopentyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1/C=C/C(=O)NC2CCCC2)Cl)C3=CC=C(C=C3)F

DOS

IR

Vibrations