Geometry & MOs

Info

ID:	361393
PubChem CID:	127303259
Reduced:	ON7C18H21 (1)
Stoich.:	AB7C18D21 (1)
Weight, g/mol:	322.142976
ΔH_f, kcal/mol:	81.75
Dipole, Da:	4.11
IP(EA), eV:	-9.08(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NN(C2=N1)C)C)C(=O)N3CCN4C(=NN=C4C5CC5)C3

DOS

IR

Vibrations