Geometry & MOs

Info

ID:	209819
PubChem CID:	80726518
Reduced:	ClFON2H10C13 (1)
Stoich.:	ABCD2E10F13 (1)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-30.53
Dipole, Da:	3.23
IP(EA), eV:	-9.78(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-amino-5-methoxyanilino)cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=C(C(=NC(=N2)C)Cl)C=O

DOS

IR

Vibrations