Geometry & MOs

Info

ID:	432409
PubChem CID:	135172542
Reduced:	OCl2N3H15C18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	636.366219
ΔH_f, kcal/mol:	49.62
Dipole, Da:	4.32
IP(EA), eV:	-8.52(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-ethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-5-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]phenoxy]ethyl 3-hydroxy-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CNC1=CC=CC(=C1Cl)C2=C(C(=CC=C2)C3=NC4=C(O3)CNC4)Cl

DOS

IR

Vibrations