Geometry & MOs

Info

ID:	432510
PubChem CID:	135172643
Reduced:	O2N6C21H26 (1)
Stoich.:	A2B6C21D26 (1)
Weight, g/mol:	530.360739
ΔH_f, kcal/mol:	-20.0
Dipole, Da:	6.92
IP(EA), eV:	-8.59(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@H](C)NC2=NC3=C(C(=N2)N4[C@H](COC4=O)C(C)C)NC=N3

DOS

IR

Vibrations