Geometry & MOs

Info

ID:	81213
PubChem CID:	49854470
Reduced:	NO2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	416.191149
ΔH_f, kcal/mol:	-117.7
Dipole, Da:	6.28
IP(EA), eV:	-8.97(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5,6-difluoro-1-[3-(2-phenylpropan-2-ylamino)propanoyl]-2,3-dihydroindol-4-yl]propanoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2(CC2)NCCC(=O)N3CCC4=C(C=CC=C43)CCC(=O)O

DOS

IR

Vibrations