Geometry & MOs

Info

ID:	345203
PubChem CID:	127268963
Reduced:	O2N3C23H35 (1)
Stoich.:	A2B3C23D35 (1)
Weight, g/mol:	371.166748
ΔH_f, kcal/mol:	-97.84
Dipole, Da:	6.27
IP(EA), eV:	-9.13(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[(3-methylquinoxalin-2-yl)methylsulfanyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2(CCCCC2)CNC(C)C(=O)N3CCN(CC3)C(=O)C

DOS

IR

Vibrations