Geometry & MOs

Info

ID:	153478
PubChem CID:	56312701
Reduced:	N2F3O5H17C19 (1)
Stoich.:	A2B3C5D17E19 (1)
Weight, g/mol:	423.176976
ΔH_f, kcal/mol:	-308.02
Dipole, Da:	6.07
IP(EA), eV:	-9.01(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(5-pyrrolidin-1-ylpyridin-2-yl)propanamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NC2=CC3=C(C=C2)OC(=O)N3)OCC(F)(F)F

DOS

IR

Vibrations