Geometry & MOs

Info

ID:	48579
PubChem CID:	11108705
Reduced:	NO3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	279.183444
ΔH_f, kcal/mol:	-108.05
Dipole, Da:	4.07
IP(EA), eV:	-9.74(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-(tert-butylamino)-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol

Drug info:

PubChemData

Smile

C[C@@]1(C(=NC(C(=O)O1)(CC=C)CC=C)OC)C(C)(C)C

DOS

IR

Vibrations