Geometry & MOs

Info

ID:	291603
PubChem CID:	113446495
Reduced:	N5C12H17 (1)
Stoich.:	A5B12C17 (1)
Weight, g/mol:	262.109311
ΔH_f, kcal/mol:	65.22
Dipole, Da:	2.17
IP(EA), eV:	-8.65(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoropyridin-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine

Drug info:

PubChemData

Smile

CC1CN(CCC1N)C2=NC=CN3C2=CC=N3

DOS

IR

Vibrations