Geometry & MOs

Info

ID:	370654
PubChem CID:	127339813
Reduced:	O2N7C18H23 (1)
Stoich.:	A2B7C18D23 (1)
Weight, g/mol:	386.123504
ΔH_f, kcal/mol:	11.1
Dipole, Da:	6.65
IP(EA), eV:	-9.37(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)CN3C=NC4=C(C3=O)C=NN4C

DOS

IR

Vibrations