Geometry & MOs

Info

ID:	371462
PubChem CID:	127346511
Reduced:	O2N6C17H24 (1)
Stoich.:	A2B6C17D24 (1)
Weight, g/mol:	352.135782
ΔH_f, kcal/mol:	-21.75
Dipole, Da:	4.43
IP(EA), eV:	-8.87(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-[2-(1H-pyrazol-4-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC2=C(C=NN2C)C(=N1)N3CCN(CC3)C(=O)CC4CCOC4

DOS

IR

Vibrations