Geometry & MOs

Info

ID:	322761
PubChem CID:	126671043
Reduced:	BrFO3N6H20C21 (1)
Stoich.:	ABC3D6E20F21 (1)
Weight, g/mol:	130.115779
ΔH_f, kcal/mol:	-98.47
Dipole, Da:	2.34
IP(EA), eV:	-8.96(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3S)-1-fluoro-2,3-dimethylcyclohexane

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(N=C2C(=O)N)CC(=O)N3C[C@@H](C[C@H]3C(=O)NC4=NC(=CC=C4)Br)F

DOS

IR

Vibrations