Geometry & MOs

Info

ID:	344655
PubChem CID:	127268243
Reduced:	O2N4C23H34 (1)
Stoich.:	A2B4C23D34 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-68.76
Dipole, Da:	2.68
IP(EA), eV:	-8.91(0.18)
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-(4-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)N2CCN(CC2)CC(=O)NC3CCN(CC3)C4CC4

DOS

IR

Vibrations