Geometry & MOs

Info

ID:	127812
PubChem CID:	51016821
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	373.163771
ΔH_f, kcal/mol:	-26.52
Dipole, Da:	7.94
IP(EA), eV:	-9.48(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,3S,4S,7S)-1-(hydroxymethyl)-5-methyl-7-phenylmethoxy-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C[C@@]12CC3=C([C@H](O1)[C@@H]4[C@H]2CC(C4)(C)C)C(=O)OC3

DOS

IR

Vibrations