Geometry & MOs

Info

ID:	355611
PubChem CID:	127289369
Reduced:	SO3N5C15H25 (1)
Stoich.:	AB3C5D15E25 (1)
Weight, g/mol:	371.152829
ΔH_f, kcal/mol:	-98.07
Dipole, Da:	3.95
IP(EA), eV:	-8.86(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)CCN3CCCS3(=O)=O

DOS

IR

Vibrations