Geometry & MOs

Info

ID:	280884
PubChem CID:	103851756
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-48.63
Dipole, Da:	4.52
IP(EA), eV:	-9.16(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC(CCOC)(CNCC1=CC=CC=C1C#N)O

DOS

IR

Vibrations