Geometry & MOs

Info

ID:	271755
PubChem CID:	103690994
Reduced:	ClFNO2C14H17 (1)
Stoich.:	ABCD2E14F17 (1)
Weight, g/mol:	329.04267
ΔH_f, kcal/mol:	-145.21
Dipole, Da:	4.43
IP(EA), eV:	-9.95(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzamide

Drug info:

PubChemData

Smile

C1CC(CC(C1)O)CNC(=O)C2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations