Geometry & MOs

Info

ID:	153426
PubChem CID:	56312620
Reduced:	ON2F4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	327.06341
ΔH_f, kcal/mol:	-211.19
Dipole, Da:	5.16
IP(EA), eV:	-9.11(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(1,4-dimethylcyclohexyl)-2-fluorobenzamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)CC2=CC=C(C=C2)C(F)(F)F)CC3=CC=CC=C3F

DOS

IR

Vibrations