Geometry & MOs

Info

ID:	226067
PubChem CID:	87322626
Reduced:	ClFO3N4C18H18 (1)
Stoich.:	ABC3D4E18F18 (1)
Weight, g/mol:	392.105146
ΔH_f, kcal/mol:	-94.45
Dipole, Da:	9.22
IP(EA), eV:	-8.62(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[3-[(2-chloro-5-fluoropyrimidin-4-yl)methylamino]propoxy]-1H-indol-2-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1OCCCNCC3=NC(=NC=C3F)Cl)C(=CN2)CC(=O)O

DOS

IR

Vibrations