Geometry & MOs

Info

ID:	356878
PubChem CID:	127292482
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	284.221226
ΔH_f, kcal/mol:	-84.47
Dipole, Da:	3.26
IP(EA), eV:	-9.28(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(oxan-3-yl)urea

Drug info:

PubChemData

Smile

CC1C2=CC=CC=C2CCN1C(=O)NC3CCCOC3

DOS

IR

Vibrations