Geometry & MOs

Info

ID:	395557
PubChem CID:	135025795
Reduced:	BrO2H11C17 (1)
Stoich.:	AB2C11D17 (1)
Weight, g/mol:	217.131408
ΔH_f, kcal/mol:	-4.65
Dipole, Da:	5.28
IP(EA), eV:	-8.99(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-hydroxy-2,2-dimethoxyethyl)amino]cyclohex-2-en-1-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2C(=O)C3=CC=CC=C3Br)O

DOS

IR

Vibrations