Geometry & MOs

Info

ID:	306744
PubChem CID:	125237025
Reduced:	NO2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-149.88
Dipole, Da:	3.93
IP(EA), eV:	-8.74(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4aS,8aR)-4-(pyridin-4-ylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-2-pyridin-2-ylethanone

Drug info:

PubChemData

Smile

CN(C[C@H]1[C@H]2CN(CC[C@H]2CO1)C(=O)C3CCOCC3)CC4=CC=CO4

DOS

IR

Vibrations