Geometry & MOs

Info

ID:	45438
PubChem CID:	10513402
Reduced:	O5C11H14 (1)
Stoich.:	A5B11C14 (1)
Weight, g/mol:	226.095357
ΔH_f, kcal/mol:	-226.05
Dipole, Da:	4.61
IP(EA), eV:	-10.62(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(hydroxymethyl)-7-methoxy-1,3,4,5-tetrahydropyrimido[1,6-c][1,3]oxazepin-9-one

Drug info:

PubChemData

Smile

C[C@@]12[C@@H]3[C@H]4C[C@H]5[C@H]3[C@@](O1)(O[C@H]5O[C@H]4O2)OC

DOS

IR

Vibrations