Geometry & MOs

Info

ID:	81211
PubChem CID:	49854468
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	380.209993
ΔH_f, kcal/mol:	-103.34
Dipole, Da:	3.58
IP(EA), eV:	-9.06(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[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)C(=O)O

DOS

IR

Vibrations