Geometry & MOs

Info

ID:	206079
PubChem CID:	80200110
Reduced:	ClFON3H9C11 (1)
Stoich.:	ABCD3E9F11 (1)
Weight, g/mol:	298.149971
ΔH_f, kcal/mol:	-25.63
Dipole, Da:	4.18
IP(EA), eV:	-9.29(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butylcyclohexyl)-(4-chloro-2-fluorophenyl)methanol

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C(=O)C2=C(C=C(C=C2)Cl)F)N

DOS

IR

Vibrations