Geometry & MOs

Info

ID:	323417
PubChem CID:	126674750
Reduced:	N2F3O5C15H17 (1)
Stoich.:	A2B3C5D15E17 (1)
Weight, g/mol:	439.171891
ΔH_f, kcal/mol:	-273.38
Dipole, Da:	5.99
IP(EA), eV:	-10.28(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(C1)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations