Geometry & MOs

Info

ID:	344531
PubChem CID:	127268115
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	391.283492
ΔH_f, kcal/mol:	-129.75
Dipole, Da:	1.51
IP(EA), eV:	-8.74(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]piperazin-1-yl]-2-cyclohexylethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)N2CCN(CC2)CC(=O)NCC3CC4=CC=CC=C4O3

DOS

IR

Vibrations