Geometry & MOs

Info

ID:	438482
PubChem CID:	135228224
Reduced:	IN2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	179.074642
ΔH_f, kcal/mol:	-43.88
Dipole, Da:	8.05
IP(EA), eV:	-8.95(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CCCCI)N

DOS

IR

Vibrations