Geometry & MOs

Info

ID:	120829
PubChem CID:	50746331
Reduced:	FN3O3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	306.184447
ΔH_f, kcal/mol:	-64.23
Dipole, Da:	10.13
IP(EA), eV:	-8.56(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-3,5-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

CC1=C2C(CC(=O)N=C2NN1)C3=CC(=C(C=C3)OCC4=CC=C(C=C4)F)OC

DOS

IR

Vibrations