Geometry & MOs

Info

ID:	38160
PubChem CID:	8027541
Reduced:	NO4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	196.133754
ΔH_f, kcal/mol:	-91.77
Dipole, Da:	4.5
IP(EA), eV:	-9.04(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-2-hydroxy-1-(4-propan-2-yloxyphenyl)ethyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC2=C(ON=C2C(=O)O)C

DOS

IR

Vibrations