Geometry & MOs

Info

ID:	88629
PubChem CID:	49955777
Reduced:	ClNF3O3H10C14 (1)
Stoich.:	ABC3D3E10F14 (1)
Weight, g/mol:	322.120996
ΔH_f, kcal/mol:	-183.58
Dipole, Da:	3.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.785740
Charge, e:	-1

Chem-info

IUPAC name:

1-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine;chloride

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)OC3=C(C=C(C=C3)C(F)(F)F)N.[Cl-]

DOS

IR

Vibrations