Geometry & MOs

Info

ID:	432528
PubChem CID:	135172661
Reduced:	NOC7H13 (1)
Stoich.:	ABC7D13 (1)
Weight, g/mol:	616.397519
ΔH_f, kcal/mol:	-42.67
Dipole, Da:	2.49
IP(EA), eV:	-9.54(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]-5-[4-(4-pentylphenyl)cyclohexyl]cyclohexyl]oxyethyl 3-hydroxy-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C1C(CC1=O)CCCN

DOS

IR

Vibrations