Geometry & MOs

Info

ID:	368418
PubChem CID:	127328343
Reduced:	SO2N5C17H27 (1)
Stoich.:	AB2C5D17E27 (1)
Weight, g/mol:	328.226312
ΔH_f, kcal/mol:	-66.44
Dipole, Da:	3.66
IP(EA), eV:	-9.17(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C2N1CC(CC2)CNC(=O)C3CSCN3C(=O)C(C)(C)C

DOS

IR

Vibrations