Geometry & MOs

Info

ID:	361404
PubChem CID:	127303270
Reduced:	ON4C20H24 (1)
Stoich.:	AB4C20D24 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	46.14
Dipole, Da:	3.39
IP(EA), eV:	-9.32(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2(CC2)C(=O)N3CCN4C(=NN=C4C5CC5)C3)C

DOS

IR

Vibrations