Geometry & MOs

Info

ID:	189673
PubChem CID:	77887588
Reduced:	O3N5C24H33 (1)
Stoich.:	A3B5C24D33 (1)
Weight, g/mol:	442.199153
ΔH_f, kcal/mol:	-94.48
Dipole, Da:	4.59
IP(EA), eV:	-8.74(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 5-oxoheptanoate

Drug info:

PubChemData

Smile

CCCCCNC1=NC(=C(C(=N1)NC2CC(CC2O)CO)C3=CC4=C(O3)C=NC(=C4)C)C

DOS

IR

Vibrations