Geometry & MOs

Info

ID:	356492
PubChem CID:	127291639
Reduced:	ON5C22H33 (1)
Stoich.:	AB5C22D33 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-6.75
Dipole, Da:	4.56
IP(EA), eV:	-9.41(0.34)
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)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CN(CC12CC3CC(C1)CC(C3)C2)C(=O)CN4CCN5C(=NN=C5C6CC6)C4

DOS

IR

Vibrations