Geometry & MOs

Info

ID:	348281
PubChem CID:	127273346
Reduced:	SO2N5C18H29 (1)
Stoich.:	AB2C5D18E29 (1)
Weight, g/mol:	342.241962
ΔH_f, kcal/mol:	-79.15
Dipole, Da:	3.76
IP(EA), eV:	-9.03(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)CSCC(=O)N(C)C3CCCCC3

DOS

IR

Vibrations