Geometry & MOs

Info

ID:	406660
PubChem CID:	135078303
Reduced:	NOH13C16 (1)
Stoich.:	ABC13D16 (1)
Weight, g/mol:	630.355654
ΔH_f, kcal/mol:	63.1
Dipole, Da:	4.71
IP(EA), eV:	-9.6(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,3-dimethylpent-4-enoxy)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]2[C@@H](O2)CC3=CC=CC=C3C#N

DOS

IR

Vibrations