Geometry & MOs

Info

ID:	422751
PubChem CID:	135118351
Reduced:	NO2C20H31 (1)
Stoich.:	AB2C20D31 (1)
Weight, g/mol:	331.168462
ΔH_f, kcal/mol:	-93.31
Dipole, Da:	4.0
IP(EA), eV:	-8.61(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[(3-pyridin-2-ylazetidin-1-yl)methyl]phenoxy]methyl]pyridine

Drug info:

PubChemData

Smile

C1C[C@H]([C@]2(C1)CCCN(C2)CCCCOCC3=CC=CC=C3)O

DOS

IR

Vibrations