Geometry & MOs

Info

ID:	162008
PubChem CID:	57393304
Reduced:	SN2F3O4H23C25 (1)
Stoich.:	AB2C3D4E23F25 (1)
Weight, g/mol:	500.16714
ΔH_f, kcal/mol:	-189.64
Dipole, Da:	7.34
IP(EA), eV:	-9.01(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2-pyrimidin-2-ylethynyl)furan-2-yl]methanone;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=CC(=C2)CN)C(=O)C3=CC=C(O3)C#CC4=CC=CS4.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations