Geometry & MOs

Info

ID:	361374
PubChem CID:	127303240
Reduced:	ON4C15H22 (1)
Stoich.:	AB4C15D22 (1)
Weight, g/mol:	317.185175
ΔH_f, kcal/mol:	6.87
Dipole, Da:	9.24
IP(EA), eV:	-9.52(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethyl]azepan-2-one

Drug info:

PubChemData

Smile

CC1(CCCC1)C(=O)N2CCN3C(=NN=C3C4CC4)C2

DOS

IR

Vibrations