Geometry & MOs

Info

ID:	352782
PubChem CID:	127283871
Reduced:	ON5C17H29 (1)
Stoich.:	AB5C17D29 (1)
Weight, g/mol:	291.20591
ΔH_f, kcal/mol:	-32.39
Dipole, Da:	2.92
IP(EA), eV:	-9.4(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCC(C1C)NC(=O)CN2CCCC(C2)N3C=NC=N3

DOS

IR

Vibrations