Geometry & MOs

Info

ID:	187283
PubChem CID:	77553938
Reduced:	FO2N3H30C32 (1)
Stoich.:	AB2C3D30E32 (1)
Weight, g/mol:	507.232205
ΔH_f, kcal/mol:	-12.49
Dipole, Da:	5.11
IP(EA), eV:	-7.76(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-2-hydroxybenzamide

Drug info:

PubChemData

Smile

CC1C2=CNN(C2=CC3=C1C(CC3)CC(C4=CC=CC=C4)NC(=O)C5=CC=CC=C5O)C6=CC=C(C=C6)F

DOS

IR

Vibrations