Geometry & MOs

Info

ID:	254332
PubChem CID:	103124407
Reduced:	N2O3C8H12 (1)
Stoich.:	A2B3C8D12 (1)
Weight, g/mol:	279.137162
ΔH_f, kcal/mol:	-121.54
Dipole, Da:	1.82
IP(EA), eV:	-8.97(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butylphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone

Drug info:

PubChemData

Smile

CCC(CN1C=CNC1=O)C(=O)O

DOS

IR

Vibrations