Geometry & MOs

Info

ID:	432557
PubChem CID:	135172690
Reduced:	O2N3C11H15 (1)
Stoich.:	A2B3C11D15 (1)
Weight, g/mol:	576.253475
ΔH_f, kcal/mol:	-45.02
Dipole, Da:	3.57
IP(EA), eV:	-9.17(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-fluoro-4-[3-fluoro-2-heptyl-4-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]phenyl]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)C1=CN=C(N=C1)OC2CCNCC2

DOS

IR

Vibrations