Geometry & MOs

Info

ID:	335827
PubChem CID:	127254689
Reduced:	ON4C20H26 (1)
Stoich.:	AB4C20D26 (1)
Weight, g/mol:	575.08445
ΔH_f, kcal/mol:	8.5
Dipole, Da:	2.71
IP(EA), eV:	-8.39(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'R,2'S,3R)-1'-(4-bromobenzoyl)-2'-(pyridine-4-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

Drug info:

PubChemData

Smile

CC(C)N1C=C(C2=CC=CC=C21)CCNC(=O)CCCN3C=CC=N3

DOS

IR

Vibrations