Geometry & MOs

Info

ID:	370661
PubChem CID:	127339820
Reduced:	O2N3C23H27 (1)
Stoich.:	A2B3C23D27 (1)
Weight, g/mol:	394.182733
ΔH_f, kcal/mol:	-27.26
Dipole, Da:	5.48
IP(EA), eV:	-8.82(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)CC3=COC4=C3C=C5CCCC5=C4

DOS

IR

Vibrations