Geometry & MOs

Info

ID:	372285
PubChem CID:	131295510
Reduced:	BrF2N3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	215.05132
ΔH_f, kcal/mol:	-29.2
Dipole, Da:	1.83
IP(EA), eV:	-9.1(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-amino-5-chloro-4-fluoro-2,3-dihydroinden-1-yl]methanol

Drug info:

PubChemData

Smile

CC1=CN(C(=N1)N)C2=C(C=C(C=C2F)Br)F

DOS

IR

Vibrations