Geometry & MOs

Info

ID:	432497
PubChem CID:	135172630
Reduced:	ON3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	590.287968
ΔH_f, kcal/mol:	-6.58
Dipole, Da:	4.2
IP(EA), eV:	-8.08(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-heptyl-4-[4-[[1-hydroxy-2-(hydroxymethyl)prop-2-enoxy]methoxy]phenyl]phenyl]phenoxy]methyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)NC1=NC=C(C=C1)NC(=O)C=C

DOS

IR

Vibrations