Geometry & MOs

Info

ID:	281070
PubChem CID:	103852731
Reduced:	BrFNOH13C15 (1)
Stoich.:	ABCDE13F15 (1)
Weight, g/mol:	311.05209
ΔH_f, kcal/mol:	-59.03
Dipole, Da:	5.65
IP(EA), eV:	-8.74(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(4-hydroxycyclohexyl)-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC(=C(C=C2)C)F)Br

DOS

IR

Vibrations