Geometry & MOs

Info

ID:	294496
PubChem CID:	117464312
Reduced:	ClNF2O2H12C13 (1)
Stoich.:	ABC2D2E12F13 (1)
Weight, g/mol:	287.125234
ΔH_f, kcal/mol:	-148.83
Dipole, Da:	5.04
IP(EA), eV:	-9.49(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[3-chloro-2-(1,1-difluoroethyl)phenyl]cyclohexyl]methanamine

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1Cl)F)C2(CCCC2)N=C=O)F

DOS

IR

Vibrations