Geometry & MOs

Info

ID:	172924
PubChem CID:	75573495
Reduced:	BrO2N4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	404.137222
ΔH_f, kcal/mol:	55.87
Dipole, Da:	3.45
IP(EA), eV:	-8.91(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(4-morpholin-4-yl-3-nitrophenyl)furan-2-yl]-1-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1Br)C=C(C#N)C(=C(C#N)C#N)N)OC

DOS

IR

Vibrations