Geometry & MOs

Info

ID:	188141
PubChem CID:	77673493
Reduced:	ClF3N3O4C29H35 (1)
Stoich.:	AB3C3D4E29F35 (1)
Weight, g/mol:	445.200156
ΔH_f, kcal/mol:	-305.42
Dipole, Da:	4.84
IP(EA), eV:	-8.5(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethyl]-1H-indol-7-yl]oxy]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)C2=CC=CC3=C2NC=C3CC(C)NCC(C4=CC(=CC=C4)Cl)O)C.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations