Geometry & MOs

Info

ID:	152651
PubChem CID:	56311676
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	386.256943
ΔH_f, kcal/mol:	-75.69
Dipole, Da:	5.32
IP(EA), eV:	-8.62(-0.38)
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-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)CCN3C4=CC=CC=C4OC3=O

DOS

IR

Vibrations