Geometry & MOs

Info

ID:	46694
PubChem CID:	10526331
Reduced:	N2O8H16C21 (1)
Stoich.:	A2B8C16D21 (1)
Weight, g/mol:	424.167459
ΔH_f, kcal/mol:	-258.75
Dipole, Da:	5.09
IP(EA), eV:	-9.39(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[4-(1-hydroxybuta-2,3-dienyl)phenyl]-3-[5-[4-(1-hydroxybuta-2,3-dienyl)phenyl]furan-3-yl]but-2-en-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CNC2=C(C1=O)C=C3C(=C2)C4=C(C(=O)O3)NC=C(C4=O)C(=O)OCC

DOS

IR

Vibrations