Geometry & MOs

Info

ID:	323418
PubChem CID:	126674761
Reduced:	F3N3O4C21H24 (1)
Stoich.:	A3B3C4D21E24 (1)
Weight, g/mol:	453.187541
ΔH_f, kcal/mol:	-286.5
Dipole, Da:	8.59
IP(EA), eV:	-8.85(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)OC(F)(F)F)NC(=O)NC2CCC(CC2)OCC3=CC=NC=C3

DOS

IR

Vibrations