Geometry & MOs

Info

ID:	141159
PubChem CID:	52828714
Reduced:	NO3C18H22 (1)
Stoich.:	AB3C18D22 (1)
Weight, g/mol:	299.152144
ΔH_f, kcal/mol:	-71.79
Dipole, Da:	5.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.144951
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1O)C[NH2+][C@H]2[C@H](CC3=CC=CC=C23)O

DOS

IR

Vibrations