Geometry & MOs

Info

ID:	361112
PubChem CID:	127302028
Reduced:	ON5C14H23 (1)
Stoich.:	AB5C14D23 (1)
Weight, g/mol:	335.268511
ΔH_f, kcal/mol:	12.56
Dipole, Da:	4.84
IP(EA), eV:	-8.3(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propan-2-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)C2=NNC(=C2)C3CC3)C

DOS

IR

Vibrations