Geometry & MOs

Info

ID:	323431
PubChem CID:	126674794
Reduced:	F3N3O5C23H26 (1)
Stoich.:	A3B3C5D23E26 (1)
Weight, g/mol:	465.187541
ΔH_f, kcal/mol:	-339.98
Dipole, Da:	5.76
IP(EA), eV:	-8.89(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(oxetan-3-yloxy)-5-(trifluoromethyl)phenyl]-3-[4-(pyridin-3-ylmethoxy)cyclohexyl]urea

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)OC(F)(F)F)NC(=O)NC2CCC(CC2)COC3=CC=CC(=C3)C(=O)N

DOS

IR

Vibrations