Geometry & MOs

Info

ID:	375299
PubChem CID:	131499869
Reduced:	BrNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-60.32
Dipole, Da:	5.65
IP(EA), eV:	-8.64(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-3-[(3S)-morpholin-3-yl]phenol

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1[C@H]2CCCN2)Br)OC

DOS

IR

Vibrations