Geometry & MOs

Info

ID:	134174
PubChem CID:	51658240
Reduced:	F2N2O3H20C22 (1)
Stoich.:	A2B2C3D20E22 (1)
Weight, g/mol:	398.144199
ΔH_f, kcal/mol:	-135.26
Dipole, Da:	1.65
IP(EA), eV:	-9.1(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-difluorophenoxy)-N-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)OCC2=CN=CC=C2)NC(=O)COC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations