Geometry & MOs

Info

ID:	367905
PubChem CID:	127326078
Reduced:	ON5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	13.23
Dipole, Da:	5.91
IP(EA), eV:	-9.07(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC3CCCN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations