Geometry & MOs

Info

ID:	55446
PubChem CID:	17395406
Reduced:	OSN3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	2.29
Dipole, Da:	2.93
IP(EA), eV:	-9.06(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

Drug info:

PubChemData

Smile

C1CCC(C1)CCC(=O)NC2=NC(=CS2)C3=CC=CC=N3

DOS

IR

Vibrations