Geometry & MOs

Info

ID:	58651
PubChem CID:	24712398
Reduced:	ClN2O4H15C17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	306.137971
ΔH_f, kcal/mol:	-78.32
Dipole, Da:	6.48
IP(EA), eV:	-9.54(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[butan-2-yl-[(2-fluorophenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=COC(=C1)CN(CC2=CC=C(C=C2)Cl)CC3=NC(=CO3)C(=O)O

DOS

IR

Vibrations