Geometry & MOs

Info

ID:	147800
PubChem CID:	53787458
Reduced:	O2N5C25H29 (1)
Stoich.:	A2B5C25D29 (1)
Weight, g/mol:	590.266839
ΔH_f, kcal/mol:	5.94
Dipole, Da:	4.25
IP(EA), eV:	-9.05(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxyphenyl)-3-[4-[6-[4-[3-(3-methoxyphenyl)prop-2-enoyl]phenoxy]hexoxy]phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=NC=NN4)(C5=CC=CC=C5)O

DOS

IR

Vibrations