Geometry & MOs

Info

ID:	294799
PubChem CID:	117496614
Reduced:	BrNO4H10C12 (1)
Stoich.:	ABC4D10E12 (1)
Weight, g/mol:	311.05209
ΔH_f, kcal/mol:	-69.2
Dipole, Da:	5.72
IP(EA), eV:	-10.11(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-1-morpholin-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol

Drug info:

PubChemData

Smile

COCC1=C(C(=CC=C1)Br)C2=CC(=NO2)C(=O)O

DOS

IR

Vibrations