Geometry & MOs

Info

ID:	323382
PubChem CID:	126674650
Reduced:	N2O2F3C15H19 (1)
Stoich.:	A2B2C3D15E19 (1)
Weight, g/mol:	423.176976
ΔH_f, kcal/mol:	-254.33
Dipole, Da:	6.7
IP(EA), eV:	-9.29(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)CO

DOS

IR

Vibrations