Geometry & MOs

Info

ID:	60617
PubChem CID:	26697286
Reduced:	ClFNOH13C15 (1)
Stoich.:	ABCDE13F15 (1)
Weight, g/mol:	339.147058
ΔH_f, kcal/mol:	-61.18
Dipole, Da:	2.85
IP(EA), eV:	-8.73(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-ethylphenyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations