Geometry & MOs

Info

ID:	288448
PubChem CID:	104316773
Reduced:	BrNO3C16H26 (1)
Stoich.:	ABC3D16E26 (1)
Weight, g/mol:	285.149557
ΔH_f, kcal/mol:	-133.16
Dipole, Da:	4.45
IP(EA), eV:	-8.43(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]butan-2-ol

Drug info:

PubChemData

Smile

CC(CCOC1=C(C=C(C=C1Br)CNC(C)(C)C)OC)O

DOS

IR

Vibrations