Geometry & MOs

Info

ID:	141157
PubChem CID:	52828712
Reduced:	NO2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	255.125929
ΔH_f, kcal/mol:	-26.59
Dipole, Da:	3.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.024894
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-1-[(2-hydroxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H](C2=CC=CC=C21)[NH2+]CC3=CC=CC=C3O)O

DOS

IR

Vibrations