Geometry & MOs

Info

ID:	360253
PubChem CID:	127300896
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	399.263425
ΔH_f, kcal/mol:	-51.49
Dipole, Da:	4.79
IP(EA), eV:	-8.74(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)CN2CCCN(CC2)C(=O)C3=C(C=C4CCCCC4=C3)O

DOS

IR

Vibrations