Geometry & MOs

Info

ID:	432505
PubChem CID:	135172638
Reduced:	N4O4C21H24 (1)
Stoich.:	A4B4C21D24 (1)
Weight, g/mol:	580.376389
ΔH_f, kcal/mol:	-83.88
Dipole, Da:	3.59
IP(EA), eV:	-8.66(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl]-6-(4-pentylcyclohexyl)naphthalen-1-yl]propyl 3-hydroxy-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)OC)NC2=NC3=C(C(=N2)N4[C@H](COC4=O)C(C)C)OC=C3

DOS

IR

Vibrations