Geometry & MOs

Info

ID:	49135
PubChem CID:	11528748
Reduced:	N3O3C10H21 (1)
Stoich.:	A3B3C10D21 (1)
Weight, g/mol:	231.137162
ΔH_f, kcal/mol:	-166.24
Dipole, Da:	3.35
IP(EA), eV:	-9.58(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR)-8-ethyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1[C@@H](C[C@@H]([C@H]1O)N)N

DOS

IR

Vibrations