Geometry & MOs

Info

ID:	306702
PubChem CID:	125165387
Reduced:	N3O4C17H19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	303.158292
ΔH_f, kcal/mol:	-104.47
Dipole, Da:	4.03
IP(EA), eV:	-9.58(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8aS)-7-[4-[(dimethylamino)methyl]benzoyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

Drug info:

PubChemData

Smile

C1COC[C@H]1C2=CC(=NC=N2)NCCOC3=CC=CC(=C3)C(=O)O

DOS

IR

Vibrations