Geometry & MOs

Info

ID:	443642
PubChem CID:	135259638
Reduced:	NO3H19C20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	335.94558
ΔH_f, kcal/mol:	-64.11
Dipole, Da:	5.76
IP(EA), eV:	-8.42(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-bromothiophen-2-yl)-7-methoxychromen-2-one

Drug info:

PubChemData

Smile

COC1=CC2=C(CCCC(N2)C3=CC(=O)OC4=CC=CC=C43)C=C1

DOS

IR

Vibrations