Geometry & MOs

Info

ID:	335517
PubChem CID:	127254379
Reduced:	ON6C12H22 (1)
Stoich.:	AB6C12D22 (1)
Weight, g/mol:	351.20591
ΔH_f, kcal/mol:	19.82
Dipole, Da:	4.7
IP(EA), eV:	-9.15(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-pyrrol-1-yl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]hexan-1-one

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C)N2C=NN=N2

DOS

IR

Vibrations