Geometry & MOs

Info

ID:	228474
PubChem CID:	87564709
Reduced:	F3O4H17C21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	377.190341
ΔH_f, kcal/mol:	-249.22
Dipole, Da:	4.42
IP(EA), eV:	-8.75(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]but-3-yn-2-yl]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)OC2=CC3=C(C=C2)C=C(C=C3)CC=O)OC(F)(F)F

DOS

IR

Vibrations