Geometry & MOs

Info

ID:	267689
PubChem CID:	103584968
Reduced:	BrNF2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	267.179856
ΔH_f, kcal/mol:	-64.73
Dipole, Da:	3.61
IP(EA), eV:	-8.33(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-difluoro-4-methyl-N-(2-propan-2-ylcyclohexyl)aniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CNC2=C(C=C(C(=C2)F)C)F)Br

DOS

IR

Vibrations