Geometry & MOs

Info

ID:	443812
PubChem CID:	135260046
Reduced:	OF2N4C10H10 (1)
Stoich.:	AB2C4D10E10 (1)
Weight, g/mol:	354.194343
ΔH_f, kcal/mol:	-38.61
Dipole, Da:	1.62
IP(EA), eV:	-8.94(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3S,5R)-4-benzyl-3,5-dimethylpiperazin-1-yl]methyl]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1F)CN2N=CC(=N2)N)F

DOS

IR

Vibrations