Geometry & MOs

Info

ID:	247671
PubChem CID:	103072629
Reduced:	ON5C9H11 (1)
Stoich.:	AB5C9D11 (1)
Weight, g/mol:	247.14331
ΔH_f, kcal/mol:	54.73
Dipole, Da:	1.32
IP(EA), eV:	-9.16(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

Drug info:

PubChemData

Smile

C=C(CN)CN1C(=O)N2C=CN=CC2=N1

DOS

IR

Vibrations