Geometry & MOs

Info

ID:	282301
PubChem CID:	103921804
Reduced:	NO2C13H27 (1)
Stoich.:	AB2C13D27 (1)
Weight, g/mol:	288.183778
ΔH_f, kcal/mol:	-119.05
Dipole, Da:	1.3
IP(EA), eV:	-8.9(2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]phenoxy]acetonitrile

Drug info:

PubChemData

Smile

CCOC1CC(C1)NCC(C)(C)CCCO

DOS

IR

Vibrations