Geometry & MOs

Info

ID:	345898
PubChem CID:	127270198
Reduced:	FN3O3C21H26 (1)
Stoich.:	AB3C3D21E26 (1)
Weight, g/mol:	399.159434
ΔH_f, kcal/mol:	-169.85
Dipole, Da:	3.14
IP(EA), eV:	-9.17(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-[1-(2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl)pyrrolidin-3-yl]urea

Drug info:

PubChemData

Smile

C1CC2CC(CC(C1)C2=O)C(=O)N3CCC(C3)NC(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations