Geometry & MOs

Info

ID:	365827
PubChem CID:	127318701
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	352.135782
ΔH_f, kcal/mol:	-23.79
Dipole, Da:	4.34
IP(EA), eV:	-8.88(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CNN=C2)C(=O)C3=CC=CC(=C3)CN4CCOCC4

DOS

IR

Vibrations