Geometry & MOs

Info

ID:	262188
PubChem CID:	103275990
Reduced:	ClNF3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	233.157978
ΔH_f, kcal/mol:	-158.13
Dipole, Da:	5.27
IP(EA), eV:	-8.72(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-fluoroaniline

Drug info:

PubChemData

Smile

CC1CC(CC(=C1)C)CNC2=C(C=C(C=C2)Cl)C(F)(F)F

DOS

IR

Vibrations