Geometry & MOs

Info

ID:	280820
PubChem CID:	103851466
Reduced:	ON3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	232.157563
ΔH_f, kcal/mol:	-35.71
Dipole, Da:	3.65
IP(EA), eV:	-8.88(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2-hydroxy-4-methylpentyl)amino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CNCCOC(C)(C)C

DOS

IR

Vibrations