Geometry & MOs

Info

ID:	353661
PubChem CID:	127285238
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	295.189592
ΔH_f, kcal/mol:	-116.93
Dipole, Da:	4.95
IP(EA), eV:	-9.46(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1CC(=O)NCC2(CCOCC2)C3=CC=CC=C3

DOS

IR

Vibrations