Geometry & MOs

Info

ID:	436108
PubChem CID:	135193851
Reduced:	ClSF3O3N4C23H24 (1)
Stoich.:	ABC3D3E4F23G24 (1)
Weight, g/mol:	522.224261
ΔH_f, kcal/mol:	-227.98
Dipole, Da:	4.07
IP(EA), eV:	-9.41(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(N2C=C(C=CC2=N1)Cl)C(=O)NCC3=CC=C(C=C3)C4CCN(CC4)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations