Geometry & MOs

Info

ID:	352772
PubChem CID:	127283861
Reduced:	ON5C18H31 (1)
Stoich.:	AB5C18D31 (1)
Weight, g/mol:	395.199111
ΔH_f, kcal/mol:	-37.52
Dipole, Da:	2.95
IP(EA), eV:	-9.34(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCCC(C1C)NC(=O)C(C)N2CCCC(C2)N3C=NC=N3

DOS

IR

Vibrations