Geometry & MOs

Info

ID:	171603
PubChem CID:	75402003
Reduced:	ClN2O4C16H19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	346.120509
ΔH_f, kcal/mol:	-170.77
Dipole, Da:	3.35
IP(EA), eV:	-9.32(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(5-methylfuran-2-yl)-3-[4-[(E)-3-(5-methylfuran-2-yl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O)O

DOS

IR

Vibrations