Geometry & MOs

Info

ID:	370624
PubChem CID:	127339774
Reduced:	ON6C21H32 (1)
Stoich.:	AB6C21D32 (1)
Weight, g/mol:	370.157581
ΔH_f, kcal/mol:	2.8
Dipole, Da:	4.98
IP(EA), eV:	-8.77(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C3CCN(CC3)CC4=NC=CN4C

DOS

IR

Vibrations