Geometry & MOs

Info

ID:	358422
PubChem CID:	127295967
Reduced:	O2F3N4C18H21 (1)
Stoich.:	A2B3C4D18E21 (1)
Weight, g/mol:	352.145678
ΔH_f, kcal/mol:	-189.06
Dipole, Da:	9.88
IP(EA), eV:	-9.05(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(C2)C(=O)NC3=CC4=C(C=C3)OC(=N4)C(F)(F)F

DOS

IR

Vibrations