Geometry & MOs

Info

ID:	285446
PubChem CID:	104105314
Reduced:	ON2C16H32 (1)
Stoich.:	AB2C16D32 (1)
Weight, g/mol:	232.157563
ΔH_f, kcal/mol:	-93.2
Dipole, Da:	2.25
IP(EA), eV:	-8.73(2.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(4-hydroxypentan-2-ylamino)ethyl]benzonitrile

Drug info:

PubChemData

Smile

CC(CC(C)O)NC1CCCCC1C2CCCCN2

DOS

IR

Vibrations