Geometry & MOs

Info

ID:	333885
PubChem CID:	127252437
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	-28.64
Dipole, Da:	4.78
IP(EA), eV:	-9.22(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,7aR)-4-benzyl-6-(1-methylimidazole-2-carbonyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one

Drug info:

PubChemData

Smile

CCC1=NC=CN1CC(=O)N2C[C@H]3CC[C@H]([C@H]3C2)OC4=CN=CC=C4

DOS

IR

Vibrations