Geometry & MOs

Info

ID:	274910
PubChem CID:	103812466
Reduced:	ON2C14H28 (1)
Stoich.:	AB2C14D28 (1)
Weight, g/mol:	223.14331
ΔH_f, kcal/mol:	-91.97
Dipole, Da:	2.8
IP(EA), eV:	-9.05(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCC(C)(C(=O)N1CCC(CC1)C(C)C)N

DOS

IR

Vibrations