Geometry & MOs

Info

ID:	155559
PubChem CID:	56365895
Reduced:	FN2O2C22H25 (1)
Stoich.:	AB2C2D22E25 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	-91.27
Dipole, Da:	8.13
IP(EA), eV:	-9.32(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-1,3-benzodioxole-4-carboxamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3F

DOS

IR

Vibrations