Geometry & MOs

Info

ID:	210002
PubChem CID:	80749238
Reduced:	NO2C13H21 (1)
Stoich.:	AB2C13D21 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-94.69
Dipole, Da:	2.37
IP(EA), eV:	-8.55(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cycloheptyloxy-5-ethoxyaniline

Drug info:

PubChemData

Smile

CCCCOC1=CC(=CC(=C1)OCCC)N

DOS

IR

Vibrations