Geometry & MOs

Info

ID:	443655
PubChem CID:	135259673
Reduced:	NO5C23H23 (1)
Stoich.:	AB5C23D23 (1)
Weight, g/mol:	305.93501
ΔH_f, kcal/mol:	-126.54
Dipole, Da:	6.31
IP(EA), eV:	-8.31(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-bromothiophen-2-yl)chromen-2-one

Drug info:

PubChemData

Smile

CCC/C=C/C(=O)OC1=C(C=CC(=C1)N(C)C2=CC(=O)OC3=CC=CC=C32)OC

DOS

IR

Vibrations