Geometry & MOs

Info

ID:	58650
PubChem CID:	24712395
Reduced:	FN2O3H17C19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	346.072035
ΔH_f, kcal/mol:	-81.64
Dipole, Da:	6.37
IP(EA), eV:	-9.65(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4-chlorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-1,3-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations