Geometry & MOs

Info

ID:	335920
PubChem CID:	127254782
Reduced:	ON8C13H20 (1)
Stoich.:	AB8C13D20 (1)
Weight, g/mol:	311.17461
ΔH_f, kcal/mol:	61.54
Dipole, Da:	8.26
IP(EA), eV:	-9.33(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-pyrrol-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)hexanamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NCCNC1=NC=CC=N1)N2C=NN=N2

DOS

IR

Vibrations