Geometry & MOs

Info

ID:	202561
PubChem CID:	79687096
Reduced:	NC8H13 (2)
Stoich.:	AB8C13 (2)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	0.64
Dipole, Da:	4.33
IP(EA), eV:	-8.23(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-tert-butylazetidin-1-yl)phenoxy]acetonitrile

Drug info:

PubChemData

Smile

CCCC1(CN(C1)C2=CC=C(C=C2)CN)CCC

DOS

IR

Vibrations