Geometry & MOs

Info

ID:	157802
PubChem CID:	56437334
Reduced:	FSO2N5C21H22 (1)
Stoich.:	ABC2D5E21F22 (1)
Weight, g/mol:	406.211724
ΔH_f, kcal/mol:	-35.65
Dipole, Da:	9.08
IP(EA), eV:	-9.44(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[[1-(2-phenyl-2-pyrazol-1-ylacetyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)NCC2CCN(CC2)C(=O)C3=CSC(=N3)C4=CC=CC=C4F

DOS

IR

Vibrations