Geometry & MOs

Info

ID:	180049
PubChem CID:	76570251
Reduced:	FON2H15C23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	333.185255
ΔH_f, kcal/mol:	38.59
Dipole, Da:	5.27
IP(EA), eV:	-8.53(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(4-fluorophenyl)-2,7,7-trimethyl-2,3,5,6-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC2C=CC(=C3C4=C(C=C(C=C4)C5=CC=C(C=C5)F)NC3=O)N=C2C=C1

DOS

IR

Vibrations