Geometry & MOs

Info

ID:	154626
PubChem CID:	56314102
Reduced:	F3O3N4C22H23 (1)
Stoich.:	A3B3C4D22E23 (1)
Weight, g/mol:	382.150427
ΔH_f, kcal/mol:	-194.42
Dipole, Da:	3.37
IP(EA), eV:	-9.06(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(2-pyridin-3-ylethyl)propanamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)N2CCN(CC2)C3=NC=CC(=C3)C#N)OCC(F)(F)F

DOS

IR

Vibrations