Geometry & MOs

Info

ID:	206243
PubChem CID:	80222540
Reduced:	ClON4C11H11 (1)
Stoich.:	ABC4D11E11 (1)
Weight, g/mol:	281.215493
ΔH_f, kcal/mol:	9.58
Dipole, Da:	6.51
IP(EA), eV:	-9.18(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-4-methylphenyl)-3-[2-methylpropyl(propan-2-yl)amino]propan-1-ol

Drug info:

PubChemData

Smile

CCC1=C(NC(=NC1=O)C2=NC=C(C=C2)Cl)N

DOS

IR

Vibrations