Geometry & MOs

Info

ID:	244511
PubChem CID:	99356087
Reduced:	N3O5C20H21 (1)
Stoich.:	A3B5C20D21 (1)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	-152.13
Dipole, Da:	7.02
IP(EA), eV:	-9.16(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3aR,7aS)-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)NCCC(=O)NC3=CC=NC=C3

DOS

IR

Vibrations