Geometry & MOs

Info

ID:	202792
PubChem CID:	79726560
Reduced:	NO4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	286.124819
ΔH_f, kcal/mol:	-76.63
Dipole, Da:	3.9
IP(EA), eV:	-10.1(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(5-chloro-3-fluoropyridin-2-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol

Drug info:

PubChemData

Smile

CC(C)C1=C(C=C(C=C1)C=C(C)C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations