Geometry & MOs

Info

ID:	326159
PubChem CID:	126686808
Reduced:	ClFON7C19H21 (1)
Stoich.:	ABCD7E19F21 (1)
Weight, g/mol:	214.19328
ΔH_f, kcal/mol:	-21.51
Dipole, Da:	6.34
IP(EA), eV:	-9.0(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3,3-trimethylbutan-2-yl)cyclohexane-1,2-diol

Drug info:

PubChemData

Smile

C1C[C@H](CC(C1)NC2=NC(=NC=C2F)C3=CNC4=C3C=C(C=N4)Cl)NCC(=O)N

DOS

IR

Vibrations