Geometry & MOs

Info

ID:	355975
PubChem CID:	127290965
Reduced:	O2N5C16H27 (1)
Stoich.:	A2B5C16D27 (1)
Weight, g/mol:	242.163043
ΔH_f, kcal/mol:	-58.68
Dipole, Da:	1.93
IP(EA), eV:	-8.78(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxan-3-yl)-3-(oxan-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCN(CC2)C(=O)NCC3CCCCO3

DOS

IR

Vibrations