Geometry & MOs

Info

ID:	312068
PubChem CID:	126602349
Reduced:	NF2O2H12C15 (2)
Stoich.:	AB2C2D12E15 (2)
Weight, g/mol:	437.116268
ΔH_f, kcal/mol:	-274.79
Dipole, Da:	2.29
IP(EA), eV:	-8.94(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[4-[5-(aminomethyl)furan-2-yl]-3-(trifluoromethyl)phenyl]pyridin-3-yl]-(3,3-difluoroazetidin-1-yl)methanone

Drug info:

PubChemData

Smile

CN(C1=CC=C(O1)C2=C(C=C(C=C2)C3=C(C=C(C=C3)C(=O)N4CCC(CC4)(F)F)F)C5=CC=C(C=C5)F)C(=O)O

DOS

IR

Vibrations