Geometry & MOs

Info

ID:	367294
PubChem CID:	127324073
Reduced:	FO3N5C19H24 (1)
Stoich.:	AB3C5D19E24 (1)
Weight, g/mol:	349.18017
ΔH_f, kcal/mol:	-124.39
Dipole, Da:	2.84
IP(EA), eV:	-9.26(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylpyrrolidin-3-yl)-3-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]urea

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NCCC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations