Geometry & MOs

Info

ID:	226066
PubChem CID:	87322625
Reduced:	ClFO3N4C18H18 (1)
Stoich.:	ABC3D4E18F18 (1)
Weight, g/mol:	392.105146
ΔH_f, kcal/mol:	-94.61
Dipole, Da:	4.28
IP(EA), eV:	-8.36(-0.78)
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-3-yl]acetic acid

Drug info:

PubChemData

Smile

CN(CCCOC1=CC2=C(C=C1)NC(=C2)CC(=O)O)C3=NC(=NC=C3F)Cl

DOS

IR

Vibrations