Geometry & MOs

Info

ID:	355374
PubChem CID:	127288435
Reduced:	O2N5C18H23 (1)
Stoich.:	A2B5C18D23 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-35.72
Dipole, Da:	10.31
IP(EA), eV:	-9.52(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CCC2)C(=O)N3CCN4C(=NN=C4C(C)C)C3

DOS

IR

Vibrations