Geometry & MOs

Info

ID:	198300
PubChem CID:	79083109
Reduced:	Br2N2O2C13H18 (1)
Stoich.:	A2B2C2D13E18 (1)
Weight, g/mol:	266.235814
ΔH_f, kcal/mol:	-39.98
Dipole, Da:	5.08
IP(EA), eV:	-8.98(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)cyclooctanamine

Drug info:

PubChemData

Smile

C1CC2COC(CN2C1)CNCC3=CC(=C(O3)Br)Br

DOS

IR

Vibrations