Geometry & MOs

Info

ID:	27650
PubChem CID:	822824
Reduced:	OSN2H18C19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	299.107005
ΔH_f, kcal/mol:	62.38
Dipole, Da:	2.73
IP(EA), eV:	-7.96(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC=CC=C3)CC=C

DOS

IR

Vibrations