Geometry & MOs

Info

ID:	253803
PubChem CID:	103120731
Reduced:	ON5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	251.17461
ΔH_f, kcal/mol:	34.74
Dipole, Da:	4.08
IP(EA), eV:	-9.3(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CNCC1CCN(C1)C(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations