Geometry & MOs

Info

ID:	32123
PubChem CID:	4266162
Reduced:	N3O3C12H13 (1)
Stoich.:	A3B3C12D13 (1)
Weight, g/mol:	454.01643
ΔH_f, kcal/mol:	-54.51
Dipole, Da:	4.67
IP(EA), eV:	-9.67(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-2-(2-hydroxyethyl)-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

Drug info:

PubChemData

Smile

CC(=O)C(CCC(=O)O)N1C2=CC=CC=C2N=N1

DOS

IR

Vibrations