Geometry & MOs

Info

ID:	145658
PubChem CID:	53565728
Reduced:	ON4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	311.138225
ΔH_f, kcal/mol:	21.27
Dipole, Da:	4.0
IP(EA), eV:	-9.3(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

CC1=NN=C2N1CCN(C2)C(=O)C3CCC4=CC=CC=C34

DOS

IR

Vibrations