Geometry & MOs

Info

ID:	271218
PubChem CID:	103648088
Reduced:	ON3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	340.07864
ΔH_f, kcal/mol:	-4.31
Dipole, Da:	5.25
IP(EA), eV:	-8.18(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]-4-bromophenol

Drug info:

PubChemData

Smile

C1CC2COC(CN2C1)CNCC3=CC=CC4=C3NC=C4

DOS

IR

Vibrations