Geometry & MOs

Info

ID:	293820
PubChem CID:	117403446
Reduced:	ClFNO2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	259.093933
ΔH_f, kcal/mol:	-136.64
Dipole, Da:	2.63
IP(EA), eV:	-9.69(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-chloro-3,6-difluorophenyl)cyclohexyl]methanamine

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)Cl)F)C(CN)C(=O)O

DOS

IR

Vibrations