Geometry & MOs

Info

ID:	364869
PubChem CID:	127316341
Reduced:	OSN4C21H30 (1)
Stoich.:	ABC4D21E30 (1)
Weight, g/mol:	387.118753
ΔH_f, kcal/mol:	-9.92
Dipole, Da:	5.07
IP(EA), eV:	-9.04(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)C3=CN(N=C3C4CCCCC4)C

DOS

IR

Vibrations