Geometry & MOs

Info

ID:	226065
PubChem CID:	87322624
Reduced:	O2N3H13C19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	392.105146
ΔH_f, kcal/mol:	116.9
Dipole, Da:	3.68
IP(EA), eV:	-8.66(-1.77)
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

C=C\1C=C2C(=NNN2)/C(=C\3/C=CC=CC3=O)/C1=C/4\C=CC=CC4=O

DOS

IR

Vibrations