Geometry & MOs

Info

ID:	356511
PubChem CID:	127291658
Reduced:	ON6C21H24 (1)
Stoich.:	AB6C21D24 (1)
Weight, g/mol:	396.227374
ΔH_f, kcal/mol:	62.97
Dipole, Da:	3.54
IP(EA), eV:	-8.46(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=NN=C3N2CCN(C3)CC(=O)N4CCC5=C(C4)C6=CC=CC=C6N5

DOS

IR

Vibrations