Geometry & MOs

Info

ID:	373691
PubChem CID:	131318837
Reduced:	ON2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	285.00006
ΔH_f, kcal/mol:	-32.21
Dipole, Da:	4.13
IP(EA), eV:	-8.02(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[(3R)-morpholin-3-yl]benzoic acid

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(CCC[C@H]2N)C(=C1)OC

DOS

IR

Vibrations