Geometry & MOs

Info

ID:	288208
PubChem CID:	104313519
Reduced:	BrF2N2H9C12 (1)
Stoich.:	AB2C2D9E12 (1)
Weight, g/mol:	296.08881
ΔH_f, kcal/mol:	-32.23
Dipole, Da:	3.06
IP(EA), eV:	-9.68(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromopyridin-2-yl)-(3,4-dimethylcyclohexyl)methanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C(C2=C(C=CC=N2)Br)N)F

DOS

IR

Vibrations