Geometry & MOs

Info

ID:	81301
PubChem CID:	49854576
Reduced:	N2O3C28H30 (1)
Stoich.:	A2B3C28D30 (1)
Weight, g/mol:	442.225643
ΔH_f, kcal/mol:	-77.62
Dipole, Da:	2.77
IP(EA), eV:	-8.7(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-[3-(2-phenylpropan-2-ylamino)propanoyl]-2,3-dihydroindol-4-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=C1)NCCC(=O)N2CCC3=C(C=CC=C32)C4=CC=C(C=C4)CC(=O)O

DOS

IR

Vibrations