Geometry & MOs

Info

ID:	356804
PubChem CID:	127292344
Reduced:	N2O2C9H13 (2)
Stoich.:	A2B2C9D13 (2)
Weight, g/mol:	300.216141
ΔH_f, kcal/mol:	-156.68
Dipole, Da:	5.47
IP(EA), eV:	-8.87(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,4-dioxan-2-ylmethyl)-3-[1-(4-methylpiperazin-1-yl)propan-2-yl]urea

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)NC2=CC=CC=C2)C(=O)NCC3COCCO3

DOS

IR

Vibrations