Geometry & MOs

Info

ID:	274332
PubChem CID:	103808579
Reduced:	BrFON2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	310.06808
ΔH_f, kcal/mol:	-40.51
Dipole, Da:	3.86
IP(EA), eV:	-9.03(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(3-bromo-2-methylphenyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)C2=CC(=C(C=C2)F)N

DOS

IR

Vibrations