Geometry & MOs

Info

ID:	438824
PubChem CID:	135228581
Reduced:	ON2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	542.266839
ΔH_f, kcal/mol:	-58.14
Dipole, Da:	3.19
IP(EA), eV:	-9.0(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]butane-1,4-diol

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)N2CCC(CC2)[C@H](C[C@H]3C4=CC=CC=C4C5=CN=CN35)O

DOS

IR

Vibrations