Geometry & MOs

Info

ID:	361585
PubChem CID:	127303851
Reduced:	OSN8C17H24 (1)
Stoich.:	ABC8D17E24 (1)
Weight, g/mol:	359.232125
ΔH_f, kcal/mol:	103.06
Dipole, Da:	4.97
IP(EA), eV:	-9.66(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC(C1)C2=NN=CN2C3CC3)SC4=NN=NN4C5CC5

DOS

IR

Vibrations