Geometry & MOs

Info

ID:	291368
PubChem CID:	112109482
Reduced:	SO2N5C23H39 (1)
Stoich.:	AB2C5D23E39 (1)
Weight, g/mol:	296.153621
ΔH_f, kcal/mol:	-78.09
Dipole, Da:	4.05
IP(EA), eV:	-8.65(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoro-5-methoxyphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CN2CCC(CC2)CN=C(NCC)N3CCCC(C3)C(=O)OCC

DOS

IR

Vibrations