Geometry & MOs

Info

ID:	267188
PubChem CID:	103581237
Reduced:	NO3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-137.48
Dipole, Da:	4.49
IP(EA), eV:	-9.23(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[(2,3-dimethyloxolan-3-yl)amino]methyl]phenoxy]acetonitrile

Drug info:

PubChemData

Smile

CC1C(CCO1)(C)NCC=C(C)C(=O)OC

DOS

IR

Vibrations