Geometry & MOs

Info

ID:	360435
PubChem CID:	127301080
Reduced:	SO2N3C19H25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-52.98
Dipole, Da:	5.28
IP(EA), eV:	-8.92(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CCCC(C2)N3C=C(C=N3)C

DOS

IR

Vibrations