Geometry & MOs

Info

ID:	355905
PubChem CID:	127290757
Reduced:	ON7C19H27 (1)
Stoich.:	AB7C19D27 (1)
Weight, g/mol:	369.183461
ΔH_f, kcal/mol:	39.37
Dipole, Da:	5.66
IP(EA), eV:	-8.63(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCN(CC2)C(=O)C3CCN(CC3)C4=NC=CN=C4

DOS

IR

Vibrations