Geometry & MOs

Info

ID:	432533
PubChem CID:	135172666
Reduced:	NOC9H17 (1)
Stoich.:	ABC9D17 (1)
Weight, g/mol:	656.279689
ΔH_f, kcal/mol:	-31.13
Dipole, Da:	2.9
IP(EA), eV:	-9.9(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[difluoro-[4-(4-pentylphenyl)phenyl]methoxy]-5-[2-[1-hydroxy-2-(hydroxymethyl)prop-2-enoxy]ethoxy]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)CC1(COC1)C=N

DOS

IR

Vibrations