Geometry & MOs

Info

ID:	88683
PubChem CID:	49956062
Reduced:	ClNO3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	266.094782
ΔH_f, kcal/mol:	-11.41
Dipole, Da:	4.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.826123
Charge, e:	-1

Chem-info

IUPAC name:

1-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)methanamine;chloride

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)CNCC2=CC=CO2)OCC3=CC=CC=C3.[Cl-]

DOS

IR

Vibrations