Geometry & MOs

Info

ID:	56262
PubChem CID:	17422894
Reduced:	OSN4H18C19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	301.111422
ΔH_f, kcal/mol:	57.46
Dipole, Da:	4.33
IP(EA), eV:	-8.5(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C=C(C=CC2=N1)OC)N3CCC4=C(C3)SC(=C4C#N)N

DOS

IR

Vibrations