Geometry & MOs

Info

ID:	283615
PubChem CID:	103993275
Reduced:	N2O2C11H16 (1)
Stoich.:	A2B2C11D16 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	-75.8
Dipole, Da:	2.18
IP(EA), eV:	-8.86(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]-4-methoxybenzonitrile

Drug info:

PubChemData

Smile

CCCC(C)OC(=O)C1=C(C=CC=N1)N

DOS

IR

Vibrations