Geometry & MOs

Info

ID:	88682
PubChem CID:	49956061
Reduced:	NCl2O2H18C19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	372.136646
ΔH_f, kcal/mol:	18.48
Dipole, Da:	2.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.835743
Charge, e:	-1

Chem-info

IUPAC name:

1-(3-ethoxy-4-phenylmethoxyphenyl)-N-(furan-2-ylmethyl)methanamine;chloride

Drug info:

PubChemData

Smile

C1=COC(=C1)CNCC2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl.[Cl-]

DOS

IR

Vibrations