Geometry & MOs

Info

ID:	335493
PubChem CID:	127254355
Reduced:	NO5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	328.176007
ΔH_f, kcal/mol:	-168.71
Dipole, Da:	7.59
IP(EA), eV:	-9.46(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-methyl-2-(tetrazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide

Drug info:

PubChemData

Smile

COC1=COC(=CC1=O)C(=O)NCC2CCOCC2

DOS

IR

Vibrations