Geometry & MOs

Info

ID:	154076
PubChem CID:	56313463
Reduced:	FO3N4H21C23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	475.208276
ΔH_f, kcal/mol:	-43.09
Dipole, Da:	5.64
IP(EA), eV:	-8.85(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]propanamide

Drug info:

PubChemData

Smile

C1COCCN1C2=CN=C(C=C2)NC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations