Geometry & MOs

Info

ID:	242544
PubChem CID:	97301961
Reduced:	NO2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	293.199094
ΔH_f, kcal/mol:	-23.21
Dipole, Da:	2.92
IP(EA), eV:	-8.34(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]phenyl]butan-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC2=CC=NC=C2)OC

DOS

IR

Vibrations