Geometry & MOs

Info

ID:	163288
PubChem CID:	57699750
Reduced:	O3N5C18H27 (1)
Stoich.:	A3B5C18D27 (1)
Weight, g/mol:	211.063329
ΔH_f, kcal/mol:	-63.33
Dipole, Da:	2.68
IP(EA), eV:	-8.46(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3H-pyrrol-2-yl)chromen-2-one

Drug info:

PubChemData

Smile

COC1=NC2=C(N=C(N=C2N1CCC3CCCOC3)OCCC4CC4)N

DOS

IR

Vibrations