Geometry & MOs

Info

ID:	281329
PubChem CID:	103913712
Reduced:	N2C17H24 (1)
Stoich.:	A2B17C24 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	20.71
Dipole, Da:	5.6
IP(EA), eV:	-9.24(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C1=CC=CC(=C1)C#N)NCCCC2CCCC2

DOS

IR

Vibrations