Geometry & MOs

Info

ID:	193497
PubChem CID:	78400346
Reduced:	ON3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	382.246772
ΔH_f, kcal/mol:	70.62
Dipole, Da:	9.46
IP(EA), eV:	-8.22(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(2-ethoxycarbonyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-oxopropan-2-yl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CC1CCCN(C1)C2=NC(=C3C=CC=CC3=O)N=C4C2C=CC=C4

DOS

IR

Vibrations