Geometry & MOs

Info

ID:	324353
PubChem CID:	126677491
Reduced:	F3O3N4H17C19 (1)
Stoich.:	A3B3C4D17E19 (1)
Weight, g/mol:	418.244327
ΔH_f, kcal/mol:	-138.74
Dipole, Da:	2.98
IP(EA), eV:	-8.39(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-[3-(cyclopropylmethylimino)-5-ethyl-1-(3,3,3-trifluoropropanoyl)piperidin-2-yl]ethyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)NOC)/C=C/C2=NN(C=N2)C3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations