Geometry & MOs

Info

ID:	343322
PubChem CID:	127266495
Reduced:	ClFON2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	314.126657
ΔH_f, kcal/mol:	-32.37
Dipole, Da:	2.24
IP(EA), eV:	-9.39(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-3-oxoprop-1-enyl]benzoic acid

Drug info:

PubChemData

Smile

C1C(C1NC(=O)C2=CC(=CN2)Cl)C3=CC=C(C=C3)F

DOS

IR

Vibrations