Geometry & MOs

Info

ID:	288459
PubChem CID:	104316904
Reduced:	BrNO2C11H16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	287.128821
ΔH_f, kcal/mol:	-77.44
Dipole, Da:	2.49
IP(EA), eV:	-8.86(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]butan-2-ol

Drug info:

PubChemData

Smile

CC(CCOC1=CC(=C(C=C1)Br)CN)O

DOS

IR

Vibrations