Geometry & MOs

Info

ID:	81114
PubChem CID:	49854366
Reduced:	NO2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	426.195486
ΔH_f, kcal/mol:	-113.53
Dipole, Da:	5.82
IP(EA), eV:	-8.93(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-fluoro-1-[3-[[1-(3-methoxyphenyl)cyclopropyl]amino]propanoyl]-2,3-dihydroindol-3-yl]propanoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2(CC2)NCCC(=O)N3CC(C4=CC=CC=C43)CCC(=O)O

DOS

IR

Vibrations