Geometry & MOs

Info

ID:	362344
PubChem CID:	127307410
Reduced:	O2N5C21H33 (1)
Stoich.:	A2B5C21D33 (1)
Weight, g/mol:	366.206719
ΔH_f, kcal/mol:	-77.94
Dipole, Da:	5.75
IP(EA), eV:	-8.37(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]urea

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3)C

DOS

IR

Vibrations