Geometry & MOs

Info

ID:	422124
PubChem CID:	135117253
Reduced:	SO7N8C37H46 (1)
Stoich.:	AB7C8D37E46 (1)
Weight, g/mol:	312.144707
ΔH_f, kcal/mol:	-218.56
Dipole, Da:	10.3
IP(EA), eV:	-8.19(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)C5=C(OC=C5)C)C

DOS

IR

Vibrations