Geometry & MOs

Info

ID:	154218
PubChem CID:	56313624
Reduced:	O2N3F4H17C22 (1)
Stoich.:	A2B3C4D17E22 (1)
Weight, g/mol:	450.137811
ΔH_f, kcal/mol:	-176.02
Dipole, Da:	1.75
IP(EA), eV:	-8.76(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NCC(F)(F)F)NC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations