Geometry & MOs

Info

ID:	285450
PubChem CID:	104105688
Reduced:	BrFNOC12H17 (1)
Stoich.:	ABCDE12F17 (1)
Weight, g/mol:	247.193614
ΔH_f, kcal/mol:	-91.22
Dipole, Da:	3.78
IP(EA), eV:	-9.38(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]pentan-2-ol

Drug info:

PubChemData

Smile

CC(CC(C)O)NCC1=CC(=C(C=C1)Br)F

DOS

IR

Vibrations