Geometry & MOs

Info

ID:	323441
PubChem CID:	126674830
Reduced:	F3N5O5C25H30 (1)
Stoich.:	A3B5C5D25E30 (1)
Weight, g/mol:	502.18279
ΔH_f, kcal/mol:	-299.16
Dipole, Da:	6.87
IP(EA), eV:	-9.05(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-[4-(6-phenylpyridazin-3-yl)oxycyclohexyl]urea

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)OC3COC3)OC4=NC(=NC=C4)N5CCOCC5

DOS

IR

Vibrations