Geometry & MOs

Info

ID:	364197
PubChem CID:	127314500
Reduced:	ON6C10H12 (1)
Stoich.:	AB6C10D12 (1)
Weight, g/mol:	355.16444
ΔH_f, kcal/mol:	36.02
Dipole, Da:	3.79
IP(EA), eV:	-9.95(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxybenzoyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2=NC=NN2CC1NC(=O)C3=CN=CN3

DOS

IR

Vibrations