Geometry & MOs

Info

ID:	449644
PubChem CID:	135300256
Reduced:	O2N5C24H29 (1)
Stoich.:	A2B5C24D29 (1)
Weight, g/mol:	423.141676
ΔH_f, kcal/mol:	-0.2
Dipole, Da:	7.41
IP(EA), eV:	-8.55(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butylsulfinyl-7-(4-fluorophenyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)N4CCCCC4)C(=O)N5CCCCC5

DOS

IR

Vibrations