Geometry & MOs

Info

ID:	145748
PubChem CID:	53587036
Reduced:	ON5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	341.135111
ΔH_f, kcal/mol:	41.38
Dipole, Da:	2.18
IP(EA), eV:	-9.45(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCN(CC2=CC=NC=C2)C(=O)NCCN3C=CN=C3

DOS

IR

Vibrations