Geometry & MOs

Info

ID:	367918
PubChem CID:	127326091
Reduced:	ON5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	337.19026
ΔH_f, kcal/mol:	18.8
Dipole, Da:	7.08
IP(EA), eV:	-8.96(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC3CCCN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations