Geometry & MOs

Info

ID:	350155
PubChem CID:	127277233
Reduced:	SN2O5C15H20 (1)
Stoich.:	AB2C5D15E20 (1)
Weight, g/mol:	348.227374
ΔH_f, kcal/mol:	-191.74
Dipole, Da:	0.59
IP(EA), eV:	-9.21(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(cyclopropylamino)-1-oxopropan-2-yl]-N-(2-propylpyrazol-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1COCCC12C(=O)N(C(=O)N2)CC(COCC3=CC=CS3)O

DOS

IR

Vibrations