Geometry & MOs

Info

ID:	85607
PubChem CID:	49877634
Reduced:	N2O7C26H32 (1)
Stoich.:	A2B7C26D32 (1)
Weight, g/mol:	242.094782
ΔH_f, kcal/mol:	-210.7
Dipole, Da:	8.9
IP(EA), eV:	-8.65(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-cyclopentyloxy-4-methoxyaniline;chloride

Drug info:

PubChemData

Smile

CN(C)CCCN1C(/C(=C(\C2=CC=C(C=C2)OC)/O)/C(=O)C1=O)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations