Geometry & MOs

Info

ID:	362328
PubChem CID:	127307357
Reduced:	FN3O3C22H26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	352.191069
ΔH_f, kcal/mol:	-122.26
Dipole, Da:	4.62
IP(EA), eV:	-8.88(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1C(=O)NCC2=CC(=CC3=C2OCOC3)F)CC4=CC=CC=C4

DOS

IR

Vibrations