Geometry & MOs

Info

ID:	153902
PubChem CID:	56313238
Reduced:	F3O3N4C21H25 (1)
Stoich.:	A3B3C4D21E25 (1)
Weight, g/mol:	413.192626
ΔH_f, kcal/mol:	-228.82
Dipole, Da:	3.34
IP(EA), eV:	-9.09(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)N2CCCN(CC2)C(=O)C3=CC=CC=C3OC)C(F)(F)F

DOS

IR

Vibrations