Geometry & MOs

Info

ID:	370642
PubChem CID:	127339801
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	370.157581
ΔH_f, kcal/mol:	-32.37
Dipole, Da:	3.95
IP(EA), eV:	-8.59(0.0)
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-5-yl]methanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)CC3=COC4=C3C=CC(=C4C)C

DOS

IR

Vibrations