Geometry & MOs

Info

ID:	349835
PubChem CID:	127276227
Reduced:	O2N3C20H35 (1)
Stoich.:	A2B3C20D35 (1)
Weight, g/mol:	346.157581
ΔH_f, kcal/mol:	-135.89
Dipole, Da:	4.19
IP(EA), eV:	-8.54(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NCCC(=O)N2CCCC2CN3CCCCC3

DOS

IR

Vibrations