Geometry & MOs

Info

ID:	434071
PubChem CID:	135174228
Reduced:	BrON2C20H25 (1)
Stoich.:	ABC2D20E25 (1)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	-0.08
Dipole, Da:	1.04
IP(EA), eV:	-8.76(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-[(azetidin-3-ylmethylamino)methyl]phenoxy]methyl]-3-methoxybenzonitrile

Drug info:

PubChemData

Smile

C1CNCCC1CNCC2=CC=C(C=C2)OCC3=CC=CC=C3Br

DOS

IR

Vibrations