Geometry & MOs

Info

ID:	50491
PubChem CID:	12013032
Reduced:	BH6F8C14 (1)
Stoich.:	AB6C8D14 (1)
Weight, g/mol:	149.084064
ΔH_f, kcal/mol:	-279.96
Dipole, Da:	2.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.977431
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S)-3-amino-2,3-dihydro-1H-inden-1-ol

Drug info:

PubChemData

Smile

[B-]1(C2=C(C3=C1C(=C(C(=C3F)F)F)F)C(=C(C(=C2F)F)F)F)(C)C

DOS

IR

Vibrations