Geometry & MOs

Info

ID:	85703
PubChem CID:	49878359
Reduced:	BrClSO2N4H24C31 (1)
Stoich.:	ABCD2E4F24G31 (1)
Weight, g/mol:	432.140925
ΔH_f, kcal/mol:	15.35
Dipole, Da:	0.77
IP(EA), eV:	-8.37(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=C2C(=C(SC2=N1)C(=O)N3CCCC4=CC=CC=C43)N)C5=CC=C(C=C5)Br)C(=O)NC6=CC=C(C=C6)Cl

DOS

IR

Vibrations