Geometry & MOs

Info

ID:	186179
PubChem CID:	77399650
Reduced:	O2N3C15H15 (2)
Stoich.:	A2B3C15D15 (2)
Weight, g/mol:	448.216221
ΔH_f, kcal/mol:	-48.18
Dipole, Da:	3.76
IP(EA), eV:	-8.26(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-3-hydroxypropyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(CN(C2=O)CC3(C(=O)NC(=O)N3)C4=CC=C(C=C4)C(=N)N5CCN(CC5)C6=CC=CC=C6)C=C1

DOS

IR

Vibrations