Geometry & MOs

Info

ID:	85578
PubChem CID:	49877178
Reduced:	ClFON2H19C23 (1)
Stoich.:	ABCD2E19F23 (1)
Weight, g/mol:	242.131167
ΔH_f, kcal/mol:	51.4
Dipole, Da:	3.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750256
Charge, e:	-1

Chem-info

IUPAC name:

2-[(4-ethylphenyl)methylamino]-2-methylpropan-1-ol;chloride

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F.[Cl-]

DOS

IR

Vibrations