Geometry & MOs

Info

ID:	253368
PubChem CID:	103117996
Reduced:	N2O2C7H12 (2)
Stoich.:	A2B2C7D12 (2)
Weight, g/mol:	309.162332
ΔH_f, kcal/mol:	-162.02
Dipole, Da:	5.54
IP(EA), eV:	-10.08(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1-methylpyrazole-3-carbonyl)piperazin-1-yl]pentanethioamide

Drug info:

PubChemData

Smile

CCCN1C(=C(N=N1)C(=O)OC)CCNC(=O)OC(C)(C)C

DOS

IR

Vibrations