Geometry & MOs

Info

ID:	184722
PubChem CID:	77198426
Reduced:	O2N3F5H26C28 (1)
Stoich.:	A2B3C5D26E28 (1)
Weight, g/mol:	483.268591
ΔH_f, kcal/mol:	-254.45
Dipole, Da:	5.16
IP(EA), eV:	-9.1(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-[3-(2-phenylethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1C2=C(CC3=C1C(CC3)C(=O)N(CC4=CC=CC=C4F)CC(C(F)(F)F)O)N(N=C2)C5=CC=C(C=C5)F

DOS

IR

Vibrations