Geometry & MOs

Info

ID:	88684
PubChem CID:	49956063
Reduced:	ClNO2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	266.094782
ΔH_f, kcal/mol:	35.83
Dipole, Da:	1.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.811148
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations