Geometry & MOs

Info

ID:	206306
PubChem CID:	80228425
Reduced:	ON6C13H14 (1)
Stoich.:	AB6C13D14 (1)
Weight, g/mol:	265.153875
ΔH_f, kcal/mol:	62.16
Dipole, Da:	7.62
IP(EA), eV:	-9.02(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)-1,3,3-trimethylpiperazin-2-one

Drug info:

PubChemData

Smile

CN1C=NC(=N1)CCNC(=O)C2=CC3=C(C=C2)C=NN3

DOS

IR

Vibrations