Geometry & MOs

Info

ID:	323428
PubChem CID:	126674790
Reduced:	F3N3O3C21H28 (1)
Stoich.:	A3B3C3D21E28 (1)
Weight, g/mol:	437.192626
ΔH_f, kcal/mol:	-303.2
Dipole, Da:	4.25
IP(EA), eV:	-8.94(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)OC2=C(C=C(C=C2)C(F)(F)F)NC(=O)NC3CCCCC3

DOS

IR

Vibrations