Geometry & MOs

Info

ID:	346980
PubChem CID:	127271484
Reduced:	ON4C21H28 (1)
Stoich.:	AB4C21D28 (1)
Weight, g/mol:	380.185983
ΔH_f, kcal/mol:	-18.65
Dipole, Da:	2.31
IP(EA), eV:	-9.22(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]urea

Drug info:

PubChemData

Smile

C1CC(CCC1C2=CC=CC=C2)NC(=O)N3CCC(CC3)C4=NC=CN4

DOS

IR

Vibrations