Geometry & MOs

Info

ID:	145963
PubChem CID:	53618671
Reduced:	ON4C19H20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	310.179361
ΔH_f, kcal/mol:	45.8
Dipole, Da:	6.52
IP(EA), eV:	-9.28(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1H-inden-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

C1CCN(C(C1)CN2C=CC=N2)C(=O)C3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations