Geometry & MOs

Info

ID:	255163
PubChem CID:	103130461
Reduced:	O2N3C10H15 (1)
Stoich.:	A2B3C10D15 (1)
Weight, g/mol:	222.148061
ΔH_f, kcal/mol:	-26.95
Dipole, Da:	6.79
IP(EA), eV:	-8.65(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,4-dimethylpiperazin-2-yl)-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1CCOC(C1)C(=O)C2=NN(C=C2)C

DOS

IR

Vibrations