Geometry & MOs

Info

ID:	323387
PubChem CID:	126674660
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	481.182455
ΔH_f, kcal/mol:	-29.31
Dipole, Da:	6.52
IP(EA), eV:	-8.77(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC(=C(N=C3)N)C(=O)N

DOS

IR

Vibrations