Geometry & MOs

Info

ID:	336242
PubChem CID:	127255249
Reduced:	FON6C19H23 (1)
Stoich.:	ABC6D19E23 (1)
Weight, g/mol:	368.207307
ΔH_f, kcal/mol:	-2.63
Dipole, Da:	8.33
IP(EA), eV:	-8.59(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-methyl-2-(tetrazol-1-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentan-1-one

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NC1CCCC2=C1NC3=C2C=C(C=C3)F)N4C=NN=N4

DOS

IR

Vibrations