Geometry & MOs

Info

ID:	144341
PubChem CID:	53351976
Reduced:	ClN3O3C27H35 (1)
Stoich.:	AB3C3D27E35 (1)
Weight, g/mol:	393.194496
ΔH_f, kcal/mol:	-19.94
Dipole, Da:	3.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.772820
Charge, e:	-1

Chem-info

IUPAC name:

N-[3-(diethylamino)propyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide;chloride

Drug info:

PubChemData

Smile

C1CCN(CC1)CCOC2=CC3=C(C=C2)C4=C(C3=NO)C=C(C=C4)OCCN5CCCCC5.[Cl-]

DOS

IR

Vibrations