Geometry & MOs

Info

ID:	80953
PubChem CID:	49854103
Reduced:	O2F3N5H18C21 (1)
Stoich.:	A2B3C5D18E21 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-103.31
Dipole, Da:	3.78
IP(EA), eV:	-8.8(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-N-heptan-4-yl-2-oxoacetamide

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=C(C=C(C=C2)C3=NN=C(O3)NCC4=CC=C(C=C4)C(F)(F)F)OC

DOS

IR

Vibrations