Geometry & MOs

Info

ID:	348273
PubChem CID:	127273338
Reduced:	O3N5C18H25 (1)
Stoich.:	A3B5C18D25 (1)
Weight, g/mol:	316.189926
ΔH_f, kcal/mol:	-112.4
Dipole, Da:	4.61
IP(EA), eV:	-9.53(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)CCN3C(=O)C4CCCCC4C3=O

DOS

IR

Vibrations