Geometry & MOs

Info

ID:	347601
PubChem CID:	127272456
Reduced:	SO2N6C15H22 (1)
Stoich.:	AB2C6D15E22 (1)
Weight, g/mol:	314.185509
ΔH_f, kcal/mol:	-12.65
Dipole, Da:	2.51
IP(EA), eV:	-8.85(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylpyrazol-3-yl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1CN(C)C(=O)NC2=NC(=CS2)CN3CCOCC3

DOS

IR

Vibrations