Geometry & MOs

Info

ID:	356491
PubChem CID:	127291638
Reduced:	ON3C9H13 (2)
Stoich.:	AB3C9D13 (2)
Weight, g/mol:	383.268511
ΔH_f, kcal/mol:	1.71
Dipole, Da:	1.56
IP(EA), eV:	-9.46(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=NN=C3N2CCN(C3)CC(=O)N4CCN(CC4)C(=O)C5CC5

DOS

IR

Vibrations