Geometry & MOs

Info

ID:	180054
PubChem CID:	76570506
Reduced:	OF3N4C33H37 (1)
Stoich.:	AB3C4D33E37 (1)
Weight, g/mol:	406.157581
ΔH_f, kcal/mol:	-137.01
Dipole, Da:	7.16
IP(EA), eV:	-8.85(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-7,7-dimethyl-5-pyridin-2-yl-2,3,5,6-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(C1=CC=C(C=C1)C2=CC=C(C=C2)C(F)(F)F)NC(=O)C3CNN4C3=NC(CC4(C)C)C5=CC=CC=C5

DOS

IR

Vibrations