Geometry & MOs

Info

ID:	81030
PubChem CID:	49854270
Reduced:	NO2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	428.211136
ΔH_f, kcal/mol:	-142.78
Dipole, Da:	2.69
IP(EA), eV:	-8.77(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[3-[2-(4-fluoro-3-methoxyphenyl)propan-2-ylamino]propanoyl]-2,3-dihydroindol-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=CC=C1)OC)NCCC(=O)N2CC(C3=CC=CC=C32)CCC(=O)O

DOS

IR

Vibrations