Geometry & MOs

Info

ID:	415999
PubChem CID:	135089004
Reduced:	SO4N6C15H20 (1)
Stoich.:	AB4C6D15E20 (1)
Weight, g/mol:	334.180504
ΔH_f, kcal/mol:	-70.74
Dipole, Da:	6.25
IP(EA), eV:	-10.06(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluorophenyl)methyl-methylamino]-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=NC(=CC=C2)N3C=NN=C3

DOS

IR

Vibrations