Geometry & MOs

Info

ID:	190446
PubChem CID:	78007709
Reduced:	NO2F3H14C19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	536.279884
ΔH_f, kcal/mol:	-175.45
Dipole, Da:	5.6
IP(EA), eV:	-9.46(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopentyl 2-[3-[3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]phenoxy]propylamino]-4-methylpentanoate

Drug info:

PubChemData

Smile

C1CC2=C(C1O)C=CC(=C2)OC3=C4C=CC(=CC4=NC=C3)C(F)(F)F

DOS

IR

Vibrations