Geometry & MOs

Info

ID:	31810
PubChem CID:	3719483
Reduced:	BrN3O7H14C19 (1)
Stoich.:	AB3C7D14E19 (1)
Weight, g/mol:	487.06305
ΔH_f, kcal/mol:	-104.83
Dipole, Da:	6.52
IP(EA), eV:	-9.26(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-2-(2-hydroxyethyl)-1-(3-methoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CC(C(=O)O)OC1=C(C=C(C=C1Br)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations