Geometry & MOs

Info

ID:	280883
PubChem CID:	103851754
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	12.04
Dipole, Da:	3.6
IP(EA), eV:	-9.09(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CN[C@H](CO)C2=CC=CC=C2

DOS

IR

Vibrations