Geometry & MOs

Info

ID:	414677
PubChem CID:	135087636
Reduced:	SN3O4C14H21 (1)
Stoich.:	AB3C4D14E21 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-144.0
Dipole, Da:	6.76
IP(EA), eV:	-9.66(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations