Geometry & MOs

Info

ID:	355618
PubChem CID:	127289376
Reduced:	SO3N5C14H23 (1)
Stoich.:	AB3C5D14E23 (1)
Weight, g/mol:	382.222957
ΔH_f, kcal/mol:	-91.17
Dipole, Da:	6.46
IP(EA), eV:	-8.9(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)CN3CCCS3(=O)=O

DOS

IR

Vibrations