Geometry & MOs

Info

ID:	364153
PubChem CID:	127314329
Reduced:	O2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	310.132885
ΔH_f, kcal/mol:	-22.57
Dipole, Da:	3.51
IP(EA), eV:	-9.49(-0.6)
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-methyloxetan-3-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C(=O)CNC(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations