Geometry & MOs

Info

ID:	262132
PubChem CID:	103272029
Reduced:	O2N5C13H17 (1)
Stoich.:	A2B5C13D17 (1)
Weight, g/mol:	289.122655
ΔH_f, kcal/mol:	9.78
Dipole, Da:	2.15
IP(EA), eV:	-8.61(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-(4-fluorophenyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=NCCC(N2N1)C3=CN(N=C3)C

DOS

IR

Vibrations