Geometry & MOs

Info

ID:	336344
PubChem CID:	127255351
Reduced:	NO5H21C22 (1)
Stoich.:	AB5C21D22 (1)
Weight, g/mol:	334.211724
ΔH_f, kcal/mol:	-113.92
Dipole, Da:	6.6
IP(EA), eV:	-8.47(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-methyl-2-(tetrazol-1-yl)pentanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C2=CC=CC=C21)C3CCCN3C(=O)C4=CC(=O)C(=CO4)OC

DOS

IR

Vibrations