Geometry & MOs

Info

ID:	306080
PubChem CID:	125001584
Reduced:	SO2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	369.252861
ΔH_f, kcal/mol:	-34.83
Dipole, Da:	5.96
IP(EA), eV:	-8.85(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-1-[(3S)-3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CSC(=C1)C(=O)N2CCO[C@H](C2)C3=NC(=CN3C)C

DOS

IR

Vibrations