Geometry & MOs

Info

ID:	254000
PubChem CID:	103122088
Reduced:	ON3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	228.101111
ΔH_f, kcal/mol:	77.58
Dipole, Da:	5.08
IP(EA), eV:	-8.85(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-prop-2-ynylpyrazolo[1,5-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)N(C)CC#C

DOS

IR

Vibrations