Geometry & MOs

Info

ID:	282312
PubChem CID:	103922046
Reduced:	NO2C18H23 (1)
Stoich.:	AB2C18D23 (1)
Weight, g/mol:	290.199428
ΔH_f, kcal/mol:	-35.22
Dipole, Da:	1.86
IP(EA), eV:	-8.53(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethyl]phenoxy]acetonitrile

Drug info:

PubChemData

Smile

CC(C1=CC2=C(O1)C(=CC=C2)OC)NCCC3=CCCC3

DOS

IR

Vibrations