Geometry & MOs

Info

ID:	323442
PubChem CID:	126674831
Reduced:	F3N4O4C25H25 (1)
Stoich.:	A3B4C4D25E25 (1)
Weight, g/mol:	407.182062
ΔH_f, kcal/mol:	-241.85
Dipole, Da:	8.95
IP(EA), eV:	-8.84(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methyl-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)OC3=NN=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations