Geometry & MOs

Info

ID:	126069
PubChem CID:	50950223
Reduced:	N2C8H13 (2)
Stoich.:	A2B8C13 (2)
Weight, g/mol:	351.22704
ΔH_f, kcal/mol:	5.11
Dipole, Da:	3.53
IP(EA), eV:	-8.6(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)N2CCCN3CCC[C@H]3C2)C

DOS

IR

Vibrations