Geometry & MOs

Info

ID:	26928
PubChem CID:	804407
Reduced:	BrO2S2C8H11 (1)
Stoich.:	AB2C2D8E11 (1)
Weight, g/mol:	334.098524
ΔH_f, kcal/mol:	-63.5
Dipole, Da:	5.4
IP(EA), eV:	-9.48(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)(=O)C1=CC(=CS1)Br

DOS

IR

Vibrations