Geometry & MOs

Info

ID:	141158
PubChem CID:	52828713
Reduced:	NO2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	300.159969
ΔH_f, kcal/mol:	-44.73
Dipole, Da:	3.54
IP(EA), eV:	-9.07(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3-ethoxy-2-hydroxyphenyl)methyl-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]azanium

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H](C2=CC=CC=C21)NCC3=CC=CC=C3O)O

DOS

IR

Vibrations