Geometry & MOs

Info

ID:	306703
PubChem CID:	125165390
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	303.158292
ΔH_f, kcal/mol:	-97.09
Dipole, Da:	5.47
IP(EA), eV:	-9.15(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CC1=CC=C(C=C1)C(=O)N2CCN3[C@@H](C2)COC3=O

DOS

IR

Vibrations