Geometry & MOs

Info

ID:	443787
PubChem CID:	135259990
Reduced:	OF2N4C10H10 (1)
Stoich.:	AB2C4D10E10 (1)
Weight, g/mol:	342.157957
ΔH_f, kcal/mol:	-40.05
Dipole, Da:	2.81
IP(EA), eV:	-8.99(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S,6R)-4-(furan-2-carbonyl)-2,6-dimethylpiperazin-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)CN2N=CC(=N2)N)F)F

DOS

IR

Vibrations