Geometry & MOs

Info

ID:	323432
PubChem CID:	126674796
Reduced:	F3N3O4C23H26 (1)
Stoich.:	A3B3C4D23E26 (1)
Weight, g/mol:	469.182455
ΔH_f, kcal/mol:	-267.43
Dipole, Da:	5.0
IP(EA), eV:	-9.05(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)OC3COC3)OCC4=CN=CC=C4

DOS

IR

Vibrations