Geometry & MOs

Info

ID:	181328
PubChem CID:	76730983
Reduced:	NO5C25H29 (1)
Stoich.:	AB5C25D29 (1)
Weight, g/mol:	397.152537
ΔH_f, kcal/mol:	-130.62
Dipole, Da:	2.41
IP(EA), eV:	-8.98(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dihydroxy-4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-3-methyl-3-[(4-phenylphenyl)methoxy]butan-2-one

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)COC(C)(C(C3=NOC(=C3)C)O)C(=O)CO

DOS

IR

Vibrations