Geometry & MOs

Info

ID:	353977
PubChem CID:	127285634
Reduced:	O2N5C16H27 (1)
Stoich.:	A2B5C16D27 (1)
Weight, g/mol:	271.189592
ΔH_f, kcal/mol:	-70.43
Dipole, Da:	4.71
IP(EA), eV:	-8.69(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methylmorpholin-2-yl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea

Drug info:

PubChemData

Smile

CN1CCOC(C1)CNC(=O)NCCC2=CN3CCCCC3=N2

DOS

IR

Vibrations