Geometry & MOs

Info

ID:	58598
PubChem CID:	24712258
Reduced:	ClN2O2C15H17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	293.153955
ΔH_f, kcal/mol:	-12.19
Dipole, Da:	1.55
IP(EA), eV:	-9.16(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-methyl-3-propan-2-ylurea

Drug info:

PubChemData

Smile

CN(CC1CC(=NO1)C2=CC=C(C=C2)Cl)C(=O)C3CC3

DOS

IR

Vibrations