Geometry & MOs

Info

ID:	288151
PubChem CID:	104311985
Reduced:	FNOBr2H8C13 (1)
Stoich.:	ABCD2E8F13 (1)
Weight, g/mol:	360.94999
ΔH_f, kcal/mol:	-19.9
Dipole, Da:	1.84
IP(EA), eV:	-10.03(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dibromopyridin-2-yl)-(3-methylcyclohexyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(=O)C2=C(C=C(C=N2)Br)Br

DOS

IR

Vibrations