Geometry & MOs

Info

ID:	336076
PubChem CID:	127255083
Reduced:	ON6C16H18 (1)
Stoich.:	AB6C16D18 (1)
Weight, g/mol:	337.19026
ΔH_f, kcal/mol:	73.47
Dipole, Da:	5.82
IP(EA), eV:	-9.26(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethylpyrrol-1-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NC1=CC=CC2=C1C=CC=N2)N3C=NN=N3

DOS

IR

Vibrations