Geometry & MOs

Info

ID:	171916
PubChem CID:	75439957
Reduced:	BrO3N5H8C10 (1)
Stoich.:	AB3C5D8E10 (1)
Weight, g/mol:	332.119464
ΔH_f, kcal/mol:	44.17
Dipole, Da:	5.91
IP(EA), eV:	-9.76(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (6R)-6-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]morpholine-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)CN2C=CN=N2)[N+](=O)[O-])Br

DOS

IR

Vibrations