Geometry & MOs

Info

ID:	280905
PubChem CID:	103851856
Reduced:	ClN3C16H20 (1)
Stoich.:	AB3C16D20 (1)
Weight, g/mol:	232.157563
ΔH_f, kcal/mol:	49.6
Dipole, Da:	3.73
IP(EA), eV:	-8.93(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CNC2CC(C2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations