Geometry & MOs

Info

ID:	362614
PubChem CID:	127308882
Reduced:	ON5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	354.216809
ΔH_f, kcal/mol:	13.71
Dipole, Da:	3.49
IP(EA), eV:	-9.55(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

C1CC2C(C1)C3CC2CC3NC(=O)N4CCN5C(=NN=C5C6CC6)C4

DOS

IR

Vibrations