Geometry & MOs

Info

ID:	363353
PubChem CID:	127310887
Reduced:	ON5C18H27 (1)
Stoich.:	AB5C18D27 (1)
Weight, g/mol:	374.188881
ΔH_f, kcal/mol:	15.82
Dipole, Da:	4.54
IP(EA), eV:	-8.49(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2CCN(C2)C(=O)C3=NC(=NC=C3)C4CC4

DOS

IR

Vibrations