Geometry & MOs

Info

ID:	355375
PubChem CID:	127288436
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	346.179361
ΔH_f, kcal/mol:	-6.6
Dipole, Da:	8.54
IP(EA), eV:	-9.19(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dihydroacenaphthylen-5-yl-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)CCC3=CC4=CC=CC=C4O3

DOS

IR

Vibrations