Geometry & MOs

Info

ID:	355455
PubChem CID:	127288518
Reduced:	O2N4C17H26 (1)
Stoich.:	A2B4C17D26 (1)
Weight, g/mol:	311.130363
ΔH_f, kcal/mol:	-75.93
Dipole, Da:	6.12
IP(EA), eV:	-9.13(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxothiolan-3-yl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)C3CCCN(C3)C(=O)C

DOS

IR

Vibrations