Geometry & MOs

Info

ID:	282169
PubChem CID:	103917788
Reduced:	SN3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	66.54
Dipole, Da:	3.68
IP(EA), eV:	-9.01(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3-ethoxycyclobutyl)amino]methyl]-2-methoxybenzonitrile

Drug info:

PubChemData

Smile

CCC1(CC1)CNC(C2=CC=CS2)C3=NC=CN3C

DOS

IR

Vibrations