Geometry & MOs

Info

ID:	288447
PubChem CID:	104316770
Reduced:	NO3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	359.10961
ΔH_f, kcal/mol:	-122.07
Dipole, Da:	1.84
IP(EA), eV:	-8.58(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-bromo-4-[(tert-butylamino)methyl]-6-methoxyphenoxy]butan-2-ol

Drug info:

PubChemData

Smile

CC(CCOC1=CC=C(C=C1)CNCCOC)O

DOS

IR

Vibrations