Geometry & MOs

Info

ID:	355948
PubChem CID:	127290938
Reduced:	O2N5C15H25 (1)
Stoich.:	A2B5C15D25 (1)
Weight, g/mol:	269.173942
ΔH_f, kcal/mol:	-51.16
Dipole, Da:	3.56
IP(EA), eV:	-8.97(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxan-3-yl)-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCN(CC2)C(=O)NC3CCOCC3

DOS

IR

Vibrations