Geometry & MOs

Info

ID:	363586
PubChem CID:	127311665
Reduced:	N3O4C19H25 (1)
Stoich.:	A3B4C19D25 (1)
Weight, g/mol:	385.143784
ΔH_f, kcal/mol:	-167.53
Dipole, Da:	6.5
IP(EA), eV:	-8.65(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]urea

Drug info:

PubChemData

Smile

COCC1CCN(CC1)C(=O)NC2=CC=CC=C2CN3C(=O)CCC3=O

DOS

IR

Vibrations