Geometry & MOs

Info

ID:	270602
PubChem CID:	103637254
Reduced:	BrNO3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	261.113171
ΔH_f, kcal/mol:	-109.12
Dipole, Da:	0.63
IP(EA), eV:	-8.6(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenol;hydrochloride

Drug info:

PubChemData

Smile

C[C@H](CO)NCC1=C(C(=CC(=C1)Br)OC)O

DOS

IR

Vibrations