Geometry & MOs

Info

ID:	66033
PubChem CID:	46488211
Reduced:	F3N4O4H17C20 (1)
Stoich.:	A3B4C4D17E20 (1)
Weight, g/mol:	299.115758
ΔH_f, kcal/mol:	-236.2
Dipole, Da:	2.94
IP(EA), eV:	-9.44(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-3-propoxybenzamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CC3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations