Geometry & MOs

Info

ID:	73849
PubChem CID:	48420698
Reduced:	FN3O3H20C24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	356.116092
ΔH_f, kcal/mol:	-36.47
Dipole, Da:	4.41
IP(EA), eV:	-9.55(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 4-(1,3-oxazol-5-yl)benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)CCC(=O)OC(C3=CC=CC=C3)C4=CC=NC=C4)F

DOS

IR

Vibrations