Geometry & MOs

Info

ID:	356486
PubChem CID:	127291592
Reduced:	ON5C23H29 (1)
Stoich.:	AB5C23D29 (1)
Weight, g/mol:	355.237211
ΔH_f, kcal/mol:	8.27
Dipole, Da:	6.47
IP(EA), eV:	-8.37(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(N1C)CCN(C2)CC(=O)N3CCC4=C(C3)C5=CC=CC=C5N4

DOS

IR

Vibrations