Geometry & MOs

Info

ID:	407155
PubChem CID:	135079443
Reduced:	BrO2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	242.114081
ΔH_f, kcal/mol:	-41.65
Dipole, Da:	5.07
IP(EA), eV:	-9.36(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z)-3-(2,2-dimethyl-1,3-oxazinan-3-yl)-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium

Drug info:

PubChemData

Smile

CCC/C(=C\C1=CC(=CC=C1)Br)/C(=O)C2=CCCCO2

DOS

IR

Vibrations