Geometry & MOs

Info

ID:	329401
PubChem CID:	126736229
Reduced:	OSN2C19H22 (1)
Stoich.:	ABC2D19E22 (1)
Weight, g/mol:	282.03678
ΔH_f, kcal/mol:	16.69
Dipole, Da:	3.83
IP(EA), eV:	-8.58(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS)-6-bromo-2,3,4,4a,5,6-hexahydro-1H-pyrazino[2,1-d][1,5]benzoxazepine

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)C2=C3C(=CC=C2)N4CCNC[C@@H]4CCO3

DOS

IR

Vibrations