Geometry & MOs

Info

ID:	374974
PubChem CID:	131408330
Reduced:	BO2N4C13H21 (1)
Stoich.:	AB2C4D13E21 (1)
Weight, g/mol:	181.090292
ΔH_f, kcal/mol:	-114.56
Dipole, Da:	2.58
IP(EA), eV:	-8.31(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-amino-4-fluoro-2,3-dihydroinden-1-yl]methanol

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C(=N2)N3CCC3)N

DOS

IR

Vibrations