Geometry & MOs

Info

ID:	352400
PubChem CID:	127283487
Reduced:	OSN5C21H27 (1)
Stoich.:	ABC5D21E27 (1)
Weight, g/mol:	352.135782
ΔH_f, kcal/mol:	24.55
Dipole, Da:	4.84
IP(EA), eV:	-9.32(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-methylpyrazol-1-yl)phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(C=NN2C(C)C)C(=C1)C(=O)N3CCCCC3C4=NC=CS4

DOS

IR

Vibrations