Geometry & MOs

Info

ID:	367661
PubChem CID:	127325190
Reduced:	O2N6C21H28 (1)
Stoich.:	A2B6C21D28 (1)
Weight, g/mol:	388.114002
ΔH_f, kcal/mol:	-34.44
Dipole, Da:	3.21
IP(EA), eV:	-9.7(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NC2CCN(CC2)C(=O)C3=CC(=CC=C3)N4C=NC=N4

DOS

IR

Vibrations