Geometry & MOs

Info

ID:	88662
PubChem CID:	49955982
Reduced:	ClO2N5C23H23 (1)
Stoich.:	AB2C5D23E23 (1)
Weight, g/mol:	262.076545
ΔH_f, kcal/mol:	115.65
Dipole, Da:	8.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	-1

Chem-info

IUPAC name:

2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethanamine;chloride

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNCC2=CC(=C(C=C2)OC3=NN=NN3C4=CC=CC=C4)OC.[Cl-]

DOS

IR

Vibrations