Geometry & MOs

Info

ID:	360404
PubChem CID:	127301049
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	354.172562
ΔH_f, kcal/mol:	-78.21
Dipole, Da:	1.4
IP(EA), eV:	-9.03(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)C3=CC(=CC=C3)OCC4CCCO4

DOS

IR

Vibrations