Geometry & MOs

Info

ID:	275291
PubChem CID:	103815002
Reduced:	ON5C9H17 (1)
Stoich.:	AB5C9D17 (1)
Weight, g/mol:	252.169859
ΔH_f, kcal/mol:	-13.93
Dipole, Da:	3.37
IP(EA), eV:	-9.06(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-aminopiperidin-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC(C1=NC=NN1)NC(=O)CCCNC

DOS

IR

Vibrations