Geometry & MOs

Info

ID:	247672
PubChem CID:	103072633
Reduced:	ON5C12H17 (1)
Stoich.:	AB5C12D17 (1)
Weight, g/mol:	245.12766
ΔH_f, kcal/mol:	37.65
Dipole, Da:	3.08
IP(EA), eV:	-9.01(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations