Geometry & MOs

Info

ID:	80690
PubChem CID:	49835895
Reduced:	BNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	262.97125
ΔH_f, kcal/mol:	-126.21
Dipole, Da:	7.03
IP(EA), eV:	-9.5(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-7-bromo-2,3-dihydro-1H-inden-1-ol;hydrochloride

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C#N)C

DOS

IR

Vibrations