Geometry & MOs

Info

ID:	89441
PubChem CID:	49961775
Reduced:	BrN2O4H19C22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	334.131742
ΔH_f, kcal/mol:	-82.7
Dipole, Da:	2.41
IP(EA), eV:	-8.43(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-amino-1-(1H-pyrrol-2-yl)-1H-benzo[f]chromene-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C2C3=C(C=CC4=CC=CC=C43)OC(=C2C(=O)N)N)Br)OC

DOS

IR

Vibrations