Geometry & MOs

Info

ID:	283776
PubChem CID:	104006053
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	345.05896
ΔH_f, kcal/mol:	-73.3
Dipole, Da:	2.27
IP(EA), eV:	-8.55(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-iodophenyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(CCC2)NCC3(CCC3)OC

DOS

IR

Vibrations