Geometry & MOs

Info

ID:	187282
PubChem CID:	77553937
Reduced:	FON5C32H38 (1)
Stoich.:	ABC5D32E38 (1)
Weight, g/mol:	507.232205
ΔH_f, kcal/mol:	-16.29
Dipole, Da:	6.21
IP(EA), eV:	-8.84(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C2=C(CC3=C1C(CC3)CC(C4=CC=CC=C4)NC(=O)NCC5CCNCC5)N(N=C2)C6=CC=C(C=C6)F

DOS

IR

Vibrations