Geometry & MOs

Info

ID:	355994
PubChem CID:	127290984
Reduced:	O2N5C16H27 (1)
Stoich.:	A2B5C16D27 (1)
Weight, g/mol:	283.225977
ΔH_f, kcal/mol:	-55.56
Dipole, Da:	0.92
IP(EA), eV:	-8.86(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxan-3-yl)-3-[(1-propylpiperidin-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCN(CC2)C(=O)NCC3CCOCC3

DOS

IR

Vibrations