Geometry & MOs

Info

ID:	153675
PubChem CID:	56312966
Reduced:	OCl2F3N5C15H16 (1)
Stoich.:	AB2C3D5E15F16 (1)
Weight, g/mol:	414.15149
ΔH_f, kcal/mol:	-155.47
Dipole, Da:	5.74
IP(EA), eV:	-8.73(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)NCCNC2=C(C=C(C=N2)Cl)Cl)C(F)(F)F

DOS

IR

Vibrations