Geometry & MOs

Info

ID:	311894
PubChem CID:	126599027
Reduced:	F3N3O5H24C26 (1)
Stoich.:	A3B3C5D24E26 (1)
Weight, g/mol:	457.161326
ΔH_f, kcal/mol:	-295.53
Dipole, Da:	2.41
IP(EA), eV:	-8.86(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1R,2R)-2-[6-[6-[[3-(trifluoromethoxy)phenyl]methylamino]pyridin-3-yl]pyridin-2-yl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CN=C(C=C2)NCC3=CC(=CC=C3)OC(F)(F)F)C(=O)N4CCC[C@H]4C(=O)O

DOS

IR

Vibrations