Geometry & MOs

Info

ID:	355547
PubChem CID:	127288617
Reduced:	O3N5C16H19 (1)
Stoich.:	A3B5C16D19 (1)
Weight, g/mol:	292.201159
ΔH_f, kcal/mol:	-35.49
Dipole, Da:	8.88
IP(EA), eV:	-8.7(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)NC(=O)CN3CCN4C=NN=C4C3)OC1

DOS

IR

Vibrations