Geometry & MOs

Info

ID:	363345
PubChem CID:	127310874
Reduced:	ON5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	370.157581
ΔH_f, kcal/mol:	33.77
Dipole, Da:	6.23
IP(EA), eV:	-9.27(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)C3=NC(=NC=C3)C4CC4

DOS

IR

Vibrations