Geometry & MOs

Info

ID:	344103
PubChem CID:	127267279
Reduced:	F3N3O3C14H18 (1)
Stoich.:	A3B3C3D14E18 (1)
Weight, g/mol:	346.150427
ΔH_f, kcal/mol:	-263.32
Dipole, Da:	8.47
IP(EA), eV:	-9.42(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylphenyl)-3-[4-ethoxy-2-hydroxy-2-(trifluoromethyl)but-3-enyl]urea

Drug info:

PubChemData

Smile

CCOC=CC(CNC(=O)NC1=CC=CC(=N1)C)(C(F)(F)F)O

DOS

IR

Vibrations